#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3mmy n GLY 5 N 0.00 1.76 3.81 1.37 0.00 -1.26 -5.07 105.19 105.80 3mmy n GLY 5 Ca 0.00 -2.16 -0.36 0.00 0.00 0.00 0.00 46.02 43.50 3mmy n GLY 5 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mmy s THR 6 N -1.69 4.43 0.18 2.61 -4.23 -1.26 -4.98 115.64 110.70 3mmy s THR 6 Ca 0.00 1.47 -0.06 0.00 -1.18 0.00 0.00 61.69 61.92 3mmy s THR 6 Cb 0.00 -3.86 -0.05 0.00 1.34 0.00 0.00 72.50 69.93 3mmy s THR 6 CO 0.00 0.09 1.50 0.00 -0.54 0.00 0.00 174.62 175.67 3mmy h THR 7 N 2.52 1.30 -2.80 3.99 1.03 -1.98 -3.44 112.91 113.54 3mmy h THR 7 Ca -0.48 -1.68 -0.24 0.00 -0.01 0.00 0.00 66.41 64.01 3mmy h THR 7 Cb 1.19 1.60 -0.33 0.00 -1.07 0.00 0.00 68.15 69.54 3mmy h THR 7 CO 0.65 0.54 -0.56 -0.55 -0.01 0.00 0.00 175.52 175.58 3mmy s SER 8 N -6.89 0.58 0.00 0.00 0.15 -1.26 -4.82 113.70 101.45 3mmy s SER 8 Ca -0.09 0.41 0.00 0.00 0.70 0.00 0.00 55.95 56.97 3mmy s SER 8 Cb 0.11 0.61 0.00 0.00 -1.71 0.00 0.00 66.02 65.03 3mmy s SER 8 CO 0.85 -0.26 0.33 0.61 1.20 0.00 0.00 173.24 175.98 3mmy n GLY 9 N 5.34 -1.10 0.19 9.45 0.00 -1.25 -4.87 105.19 112.95 3mmy n GLY 9 Ca -0.06 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.02 3mmy n GLY 9 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 3mmy h PHE 10 N 0.00 0.00 -0.34 1.61 0.04 -1.75 -3.40 116.94 113.10 3mmy h PHE 10 Ca 0.00 0.00 0.00 0.00 2.80 0.00 0.00 57.97 60.77 3mmy h PHE 10 Cb 0.75 0.00 0.00 0.00 2.20 0.00 0.00 35.95 38.90 3mmy h PHE 10 CO 0.00 0.36 0.00 0.41 -0.60 0.00 0.00 178.31 178.48 3mmy n GLY 11 N 0.35 0.40 2.86 -1.45 0.00 -1.26 -4.89 105.19 101.21 3mmy n GLY 11 Ca 0.00 -0.87 -0.14 0.00 0.00 0.00 0.00 46.02 45.01 3mmy n GLY 11 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3mmy s THR 12 N 0.00 0.13 0.29 2.61 2.01 -1.26 -5.05 115.64 114.37 3mmy s THR 12 Ca 0.00 -0.00 -0.28 0.00 0.31 0.00 0.00 61.69 61.72 3mmy s THR 12 Cb 0.00 -0.16 -0.09 0.00 0.01 0.00 0.00 72.50 72.26 3mmy s THR 12 CO 0.00 0.07 0.98 -0.44 -0.69 0.00 0.00 174.62 174.54 3mmy s SER 13 N 0.36 7.38 0.11 3.53 0.01 -1.26 -5.07 113.70 118.76 3mmy s SER 13 Ca -0.03 1.96 0.07 0.00 1.31 0.00 0.00 55.95 59.26 3mmy s SER 13 Cb -0.06 -2.60 -0.04 0.00 0.21 0.00 0.00 66.02 63.54 3mmy s SER 13 CO -0.01 -0.04 -0.08 -0.83 0.41 0.00 0.00 173.24 172.69 3mmy s GLY 14 N -1.34 1.81 0.00 3.44 0.00 -1.26 -5.10 107.32 104.87 3mmy s GLY 14 Ca 0.47 -1.24 0.01 0.00 0.00 0.00 0.00 44.72 43.96 3mmy s GLY 14 CO 0.30 -1.22 0.05 -0.51 0.00 0.00 0.00 173.10 171.71 3mmy s THR 15 N -1.26 4.47 0.29 0.90 -4.23 -1.26 -5.08 115.64 109.47 3mmy s THR 15 Ca 0.22 -0.52 -0.28 0.00 -1.18 0.00 0.00 61.69 59.93 3mmy s THR 15 Cb -0.11 -3.03 -0.14 0.00 1.34 0.00 0.00 72.50 70.55 3mmy s THR 15 CO 0.15 0.34 0.98 -0.24 -0.54 0.00 0.00 174.62 175.31 3mmy n SER 16 N 1.21 1.16 0.33 3.99 2.88 -1.26 -4.87 113.62 117.06 3mmy n SER 16 Ca -0.13 1.17 0.22 0.00 -1.33 0.00 0.00 58.87 58.80 3mmy n SER 16 Cb 0.53 -1.27 1.11 0.00 -0.75 0.00 0.00 64.21 63.82 3mmy n SER 16 CO 0.00 0.00 0.00 0.24 -1.23 0.00 0.00 175.04 174.05 3mmy h MET 17 N 1.92 0.00 0.00 -1.46 2.86 -2.07 -3.57 114.93 112.61 3mmy h MET 17 Ca -0.39 0.00 -0.00 0.00 -2.06 0.00 0.00 59.70 57.25 3mmy h MET 17 Cb 1.35 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 33.00 3mmy h MET 17 CO 0.60 0.00 -0.11 1.19 1.06 0.00 0.00 176.91 179.66 3mmy n PHE 18 N -3.09 0.00 0.00 -0.22 3.01 -1.26 -5.36 117.46 110.53 3mmy n PHE 18 Ca -0.02 -0.82 0.00 0.00 1.01 0.00 0.00 57.45 57.61 3mmy n PHE 18 Cb 0.12 -0.13 0.00 0.00 -0.01 0.00 0.00 39.48 39.46 3mmy n PHE 18 CO 0.00 0.00 0.00 -2.37 1.01 0.00 0.00 176.76 175.40 3mmy n THR 23 N -1.16 0.00 -3.77 4.37 5.66 -1.26 -5.29 114.28 112.83 3mmy n THR 23 Ca 0.13 0.00 -0.10 0.00 -3.05 0.00 0.00 64.05 61.03 3mmy n THR 23 Cb 0.65 0.00 -0.07 0.00 -1.55 0.00 0.00 70.33 69.37 3mmy n THR 23 CO 0.00 0.00 0.00 -0.62 -3.05 0.00 0.00 175.07 171.40 3mmy s ASP 24 N 0.00 -0.05 -0.26 1.09 2.15 -1.26 -5.09 116.67 113.24 3mmy s ASP 24 Ca 0.00 -0.38 0.12 0.00 0.43 0.00 0.00 52.55 52.72 3mmy s ASP 24 Cb 0.00 0.37 0.54 0.00 -0.30 0.00 0.00 42.92 43.52 3mmy s ASP 24 CO 0.00 -0.69 1.49 -3.20 -0.17 0.00 0.00 175.17 172.60 3mmy n ASN 25 N 0.23 3.18 0.13 -0.34 5.15 -1.26 -4.65 115.26 117.70 3mmy n ASN 25 Ca -0.17 -3.46 0.00 0.00 -0.60 0.00 0.00 54.58 50.35 3mmy n ASN 25 Cb 0.61 -0.62 0.10 0.00 -0.53 0.00 0.00 39.78 39.34 3mmy n ASN 25 CO 0.00 0.00 0.00 1.12 1.40 0.00 0.00 177.26 179.78 3mmy h HIS 26 N 1.35 0.00 -1.26 1.20 2.07 -1.97 -2.76 115.15 113.78 3mmy h HIS 26 Ca 0.17 0.00 -0.43 0.00 -2.85 0.00 0.00 60.37 57.26 3mmy h HIS 26 Cb 1.69 0.00 -0.30 0.00 2.57 0.00 0.00 27.41 31.37 3mmy h HIS 26 CO 0.88 0.62 -0.88 -1.71 -3.07 0.00 0.00 177.93 173.76 3mmy n ASN 27 N -3.45 -0.91 0.19 3.10 5.15 -1.26 -4.72 115.26 113.35 3mmy n ASN 27 Ca 0.00 -2.95 0.14 0.00 -0.60 0.00 0.00 54.58 51.17 3mmy n ASN 27 Cb 0.70 0.28 0.54 0.00 -0.53 0.00 0.00 39.78 40.77 3mmy n ASN 27 CO 0.00 0.00 0.00 1.55 1.40 0.00 0.00 177.26 180.21 3mmy h PRO 28 N 3.91 0.00 0.00 1.20 0.13 -1.88 -2.02 132.00 133.34 3mmy h PRO 28 Ca -0.01 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.12 3mmy h PRO 28 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 3mmy h PRO 28 CO 0.41 0.00 -0.35 -1.33 -0.23 0.00 0.00 178.00 176.49 3mmy n MET 29 N -2.59 0.13 -3.74 0.86 2.81 -1.26 -4.95 117.12 108.39 3mmy n MET 29 Ca 0.02 0.06 -0.24 0.00 -1.81 0.00 0.00 57.70 55.73 3mmy n MET 29 Cb 0.29 -1.60 0.04 0.00 -0.71 0.00 0.00 33.22 31.24 3mmy n MET 29 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11 3mmy n LYS 30 N -1.79 -5.54 -1.56 0.03 5.02 -0.76 -4.99 118.16 108.56 3mmy n LYS 30 Ca 0.05 0.65 -0.30 0.00 -2.02 0.00 0.00 58.31 56.70 3mmy n LYS 30 Cb 0.38 -5.40 0.10 0.00 -0.02 0.00 0.00 35.03 30.09 3mmy n LYS 30 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 3mmy s ASP 31 N -3.94 4.36 0.31 4.39 1.01 -1.26 -4.57 116.67 116.97 3mmy s ASP 31 Ca 0.26 1.24 -0.29 0.00 0.71 0.00 0.00 52.55 54.47 3mmy s ASP 31 Cb -0.13 -1.95 -0.11 0.00 1.01 0.00 0.00 42.92 41.75 3mmy s ASP 31 CO 0.80 -2.04 1.44 -0.63 0.21 0.00 0.00 175.17 174.95 3mmy s ILE 32 N -3.19 2.42 -0.22 0.77 -1.09 -0.49 -4.78 121.20 114.62 3mmy s ILE 32 Ca 0.61 0.39 -0.08 0.00 -2.23 0.00 0.00 60.65 59.34 3mmy s ILE 32 Cb -0.14 -3.25 -0.04 0.00 -1.58 0.00 0.00 42.46 37.45 3mmy s ILE 32 CO 0.54 0.08 0.10 -1.61 -1.23 0.00 0.00 174.94 172.82 3mmy s GLU 33 N -1.23 3.93 0.24 2.79 2.02 -1.26 -0.67 118.70 124.52 3mmy s GLU 33 Ca 0.55 -0.35 -0.30 0.00 0.02 0.00 0.00 54.97 54.89 3mmy s GLU 33 Cb -0.43 -3.35 -0.10 0.00 0.10 0.00 0.00 34.13 30.34 3mmy s GLU 33 CO 0.52 0.09 1.46 0.08 0.02 0.00 0.00 175.26 177.43 3mmy s VAL 34 N 0.91 2.62 0.37 2.63 1.01 -0.36 -4.90 120.40 122.68 3mmy s VAL 34 Ca 0.05 0.51 -0.26 0.00 0.00 0.00 0.00 61.98 62.29 3mmy s VAL 34 Cb -0.14 -3.33 -0.09 0.00 0.00 0.00 0.00 36.38 32.83 3mmy s VAL 34 CO 0.03 0.08 1.08 0.42 0.00 0.00 0.00 175.10 176.71 3mmy s THR 35 N 0.11 3.56 -0.94 3.92 -4.23 -1.26 -4.20 115.64 112.61 3mmy s THR 35 Ca 0.61 1.30 -0.08 0.00 -1.18 0.00 0.00 61.69 62.34 3mmy s THR 35 Cb -0.42 -3.73 -0.02 0.00 1.34 0.00 0.00 72.50 69.68 3mmy s THR 35 CO 0.42 0.11 0.75 -1.20 -0.54 0.00 0.00 174.62 174.17 3mmy n SER 36 N 0.26 -6.32 -4.84 3.99 7.64 -1.26 -4.79 113.62 108.30 3mmy n SER 36 Ca 0.03 -0.64 -0.31 0.00 1.01 0.00 0.00 58.87 58.97 3mmy n SER 36 Cb 0.48 -4.06 0.05 0.00 -1.01 0.00 0.00 64.21 59.66 3mmy n SER 36 CO 0.00 0.00 0.00 -0.94 -3.01 0.00 0.00 175.04 171.09 3mmy s SER 37 N -3.21 5.45 0.80 6.43 1.04 -1.26 -5.00 113.70 117.94 3mmy s SER 37 Ca 0.23 1.47 -0.14 0.00 0.48 0.00 0.00 55.95 57.99 3mmy s SER 37 Cb -0.07 -2.36 0.05 0.00 0.10 0.00 0.00 66.02 63.75 3mmy s SER 37 CO 0.81 -1.38 1.03 -2.65 0.98 0.00 0.00 173.24 172.03 3mmy n PRO 38 N -3.07 0.21 0.00 4.02 -0.02 -1.26 -4.93 135.00 129.95 3mmy n PRO 38 Ca 0.07 0.14 0.13 0.00 -2.02 0.00 0.00 63.50 61.82 3mmy n PRO 38 Cb 0.54 -2.30 0.45 0.00 -0.02 0.00 0.00 33.50 32.18 3mmy n PRO 38 CO 0.00 0.00 0.00 -0.25 1.98 0.00 0.00 175.50 177.23 3mmy n ASP 39 N -2.55 0.70 -3.83 2.55 8.00 -1.26 -4.61 116.55 115.56 3mmy n ASP 39 Ca 0.13 -0.61 -0.15 0.00 0.71 0.00 0.00 54.79 54.87 3mmy n ASP 39 Cb 0.50 0.05 -0.09 0.00 -0.02 0.00 0.00 41.12 41.57 3mmy n ASP 39 CO 0.00 0.00 0.00 -0.62 -0.39 0.00 0.00 177.20 176.19 3mmy s ASP 40 N -2.59 0.72 0.28 -2.24 2.15 -1.26 -4.95 116.67 108.79 3mmy s ASP 40 Ca 0.23 -1.50 -0.28 0.00 0.43 0.00 0.00 52.55 51.43 3mmy s ASP 40 Cb 0.19 0.47 -0.14 0.00 -0.30 0.00 0.00 42.92 43.15 3mmy s ASP 40 CO 0.53 -0.97 1.03 -1.20 -0.17 0.00 0.00 175.17 174.40 3mmy n SER 41 N -0.80 1.36 -4.66 -0.34 7.64 -1.26 -4.46 113.62 111.09 3mmy n SER 41 Ca 0.04 1.18 -0.39 0.00 1.01 0.00 0.00 58.87 60.71 3mmy n SER 41 Cb 0.64 -1.29 -0.07 0.00 -1.01 0.00 0.00 64.21 62.48 3mmy n SER 41 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 3mmy s ILE 42 N -0.99 5.15 -0.07 0.44 1.01 -1.26 -0.74 121.20 124.73 3mmy s ILE 42 Ca 0.59 0.82 0.10 0.00 0.00 0.00 0.00 60.65 62.17 3mmy s ILE 42 Cb -0.71 -3.78 -0.24 0.00 0.01 0.00 0.00 42.46 37.75 3mmy s ILE 42 CO 0.59 0.21 0.54 0.61 0.00 0.00 0.00 174.94 176.89 3mmy n GLY 43 N 3.96 -0.93 3.33 6.18 0.00 -0.67 -4.66 105.19 112.40 3mmy n GLY 43 Ca -0.06 -0.11 -0.15 0.00 0.00 0.00 0.00 46.02 45.70 3mmy n GLY 43 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3mmy s LEU 45 N -1.19 2.07 -0.20 0.00 1.43 -1.26 -2.19 118.68 117.34 3mmy s LEU 45 Ca -0.12 -0.22 -0.11 0.00 -1.03 0.00 0.00 54.13 52.66 3mmy s LEU 45 Cb -0.04 -0.26 0.07 0.00 0.03 0.00 0.00 46.19 45.99 3mmy s LEU 45 CO 0.06 -0.00 0.48 -0.55 0.23 0.00 0.00 176.35 176.57 3mmy s SER 46 N -0.50 -0.60 0.16 2.29 0.15 -0.47 -4.78 113.70 109.95 3mmy s SER 46 Ca -0.01 1.06 -0.08 0.00 0.70 0.00 0.00 55.95 57.62 3mmy s SER 46 Cb -0.04 1.00 -0.06 0.00 -1.71 0.00 0.00 66.02 65.20 3mmy s SER 46 CO -0.00 -0.21 0.46 -0.36 1.20 0.00 0.00 173.24 174.33 3mmy s PHE 47 N 1.60 3.49 0.67 3.44 0.40 -1.26 -0.70 117.98 125.62 3mmy s PHE 47 Ca -0.09 0.76 -0.17 0.00 -0.60 0.00 0.00 56.93 56.83 3mmy s PHE 47 Cb -0.08 -2.16 -0.02 0.00 0.51 0.00 0.00 43.02 41.28 3mmy s PHE 47 CO -0.15 0.39 0.97 -1.13 0.70 0.00 0.00 175.22 176.00 3mmy n SER 48 N 0.24 0.62 -4.80 1.36 3.41 0.09 -4.88 113.62 109.65 3mmy n SER 48 Ca -0.03 0.73 -0.30 0.00 -0.26 0.00 0.00 58.87 59.01 3mmy n SER 48 Cb 0.52 -1.40 0.08 0.00 -0.26 0.00 0.00 64.21 63.15 3mmy n SER 48 CO 0.00 0.00 0.00 -2.16 -0.16 0.00 0.00 175.04 172.72 3mmy s PRO 49 N -3.09 2.35 0.11 4.33 0.04 -1.26 -4.21 135.00 133.28 3mmy s PRO 49 Ca 0.75 0.78 0.09 0.00 0.04 0.00 0.00 61.00 62.66 3mmy s PRO 49 Cb -0.37 -1.94 0.46 0.00 0.04 0.00 0.00 34.50 32.68 3mmy s PRO 49 CO 0.48 -1.47 1.27 -0.35 0.04 0.00 0.00 177.00 176.98 3mmy n PRO 50 N -3.35 0.05 0.26 0.56 -0.04 -1.26 -1.86 135.00 129.35 3mmy n PRO 50 Ca 0.07 0.53 0.16 0.00 -0.04 0.00 0.00 63.50 64.21 3mmy n PRO 50 Cb 0.55 -1.66 0.53 0.00 -0.04 0.00 0.00 33.50 32.87 3mmy n PRO 50 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 3mmy h THR 51 N 0.00 0.00 -3.36 0.52 1.35 -1.89 -3.42 112.91 106.10 3mmy h THR 51 Ca 0.00 -0.66 -0.58 0.00 -0.55 0.00 0.00 66.41 64.62 3mmy h THR 51 Cb 0.03 1.66 -0.09 0.00 -1.73 0.00 0.00 68.15 68.02 3mmy h THR 51 CO 0.00 0.00 -0.12 -0.76 -0.25 0.00 0.00 175.52 174.39 3mmy s LEU 52 N -6.17 4.24 0.29 3.87 1.43 -0.78 -4.93 118.68 116.65 3mmy s LEU 52 Ca 0.03 0.77 -0.29 0.00 -1.03 0.00 0.00 54.13 53.61 3mmy s LEU 52 Cb 0.08 -2.68 -0.10 0.00 0.03 0.00 0.00 46.19 43.51 3mmy s LEU 52 CO 0.58 -0.04 1.18 -2.84 0.23 0.00 0.00 176.35 175.46 3mmy s PRO 53 N 0.87 4.53 0.06 1.29 0.02 -1.26 -4.76 135.00 135.74 3mmy s PRO 53 Ca 0.25 1.96 0.00 0.00 0.02 0.00 0.00 61.00 63.24 3mmy s PRO 53 Cb -0.15 -3.15 0.00 0.00 0.02 0.00 0.00 34.50 31.22 3mmy s PRO 53 CO 0.10 0.05 0.00 0.41 -0.33 0.00 0.00 177.00 177.23 3mmy n GLY 54 N 1.09 -2.29 3.12 0.52 0.00 -1.26 -4.93 105.19 101.44 3mmy n GLY 54 Ca -0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.17 3mmy n GLY 54 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 3mmy s ASN 55 N -2.10 2.78 -0.08 1.61 0.01 -1.26 -4.98 114.94 110.93 3mmy s ASN 55 Ca 0.00 -0.51 0.03 0.00 -0.71 0.00 0.00 52.86 51.67 3mmy s ASN 55 Cb 0.00 -1.27 0.01 0.00 0.41 0.00 0.00 41.25 40.40 3mmy s ASN 55 CO 0.00 0.06 -0.18 -0.36 -1.51 0.00 0.00 177.10 175.11 3mmy s PHE 56 N 0.81 1.97 -0.11 2.20 0.40 -1.26 -0.14 117.98 121.84 3mmy s PHE 56 Ca -0.09 -0.76 -0.02 0.00 -0.60 0.00 0.00 56.93 55.46 3mmy s PHE 56 Cb -0.16 -1.36 -0.03 0.00 0.51 0.00 0.00 43.02 41.98 3mmy s PHE 56 CO -0.00 -0.33 -0.02 -1.17 0.70 0.00 0.00 175.22 174.40 3mmy s LEU 57 N 0.46 3.44 -0.08 -0.37 2.96 0.12 -0.73 118.68 124.48 3mmy s LEU 57 Ca -0.16 0.03 0.01 0.00 -0.22 0.00 0.00 54.13 53.80 3mmy s LEU 57 Cb -0.16 -1.80 -0.03 0.00 0.50 0.00 0.00 46.19 44.70 3mmy s LEU 57 CO 0.06 0.30 -0.08 -0.63 -1.32 0.00 0.00 176.35 174.68 3mmy s ILE 58 N -0.41 3.57 -0.01 6.68 -1.09 0.12 -1.23 121.20 128.83 3mmy s ILE 58 Ca 0.07 -0.52 0.02 0.00 -2.23 0.00 0.00 60.65 57.99 3mmy s ILE 58 Cb -0.12 -2.46 -0.00 0.00 -1.58 0.00 0.00 42.46 38.29 3mmy s ILE 58 CO 0.02 0.58 -0.07 0.00 -1.23 0.00 0.00 174.94 174.24 3mmy s ALA 59 N -0.58 0.65 0.07 9.38 0.00 -0.68 -1.36 121.76 129.24 3mmy s ALA 59 Ca 0.09 -0.28 0.05 0.00 0.00 0.00 0.00 51.96 51.81 3mmy s ALA 59 Cb -0.12 -0.21 -0.04 0.00 0.00 0.00 0.00 23.12 22.76 3mmy s ALA 59 CO 0.02 0.13 -0.06 0.20 0.00 0.00 0.00 175.76 176.05 3mmy s GLY 60 N 0.01 1.82 0.22 0.00 0.00 -0.93 -1.10 107.32 107.34 3mmy s GLY 60 Ca 0.00 -1.13 0.00 0.00 0.00 0.00 0.00 44.72 43.59 3mmy s GLY 60 CO -0.00 -1.08 0.10 -1.35 0.00 0.00 0.00 173.10 170.77 3mmy s SER 61 N -2.00 0.66 0.00 1.64 1.04 -0.76 -1.67 113.70 112.60 3mmy s SER 61 Ca 0.21 -1.36 0.02 0.00 0.48 0.00 0.00 55.95 55.31 3mmy s SER 61 Cb -0.11 0.27 0.11 0.00 0.10 0.00 0.00 66.02 66.39 3mmy s SER 61 CO 0.13 -0.77 0.84 0.79 0.98 0.00 0.00 173.24 175.22 3mmy n TRP 62 N -0.33 0.00 -0.42 5.02 7.02 0.08 -1.95 117.44 126.86 3mmy n TRP 62 Ca -0.00 0.00 0.11 0.00 -1.02 0.00 0.00 57.50 56.59 3mmy n TRP 62 Cb 0.66 0.00 0.33 0.00 -2.42 0.00 0.00 31.31 29.87 3mmy n TRP 62 CO 0.00 0.00 0.00 0.00 -2.02 0.00 0.00 177.69 175.67 3mmy n ALA 63 N -0.54 2.50 -0.83 6.99 0.00 -1.26 -4.66 120.51 122.71 3mmy n ALA 63 Ca 0.01 -1.36 0.00 0.00 0.00 0.00 0.00 53.44 52.09 3mmy n ALA 63 Cb 0.01 -0.92 0.00 0.00 0.00 0.00 0.00 19.45 18.53 3mmy n ALA 63 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3mmy n ASN 64 N 1.51 -0.67 -4.93 0.00 3.02 -0.83 -4.96 115.26 108.40 3mmy n ASN 64 Ca 0.24 0.00 -0.27 0.00 -0.03 0.00 0.00 54.58 54.52 3mmy n ASN 64 Cb 0.67 -0.11 -0.03 0.00 -0.61 0.00 0.00 39.78 39.69 3mmy n ASN 64 CO 0.00 0.00 0.00 1.51 -2.62 0.00 0.00 177.26 176.15 3mmy s ASP 65 N -2.73 6.28 -0.10 6.41 -4.77 -1.26 -0.34 116.67 120.17 3mmy s ASP 65 Ca 0.00 0.18 0.04 0.00 -3.30 0.00 0.00 52.55 49.47 3mmy s ASP 65 Cb 0.00 -1.89 -0.00 0.00 -1.09 0.00 0.00 42.92 39.94 3mmy s ASP 65 CO 0.00 0.09 -0.23 -0.69 0.70 0.00 0.00 175.17 175.03 3mmy s VAL 66 N -1.67 2.13 0.16 2.11 1.01 -0.25 -1.83 120.40 122.06 3mmy s VAL 66 Ca 0.34 -1.00 0.09 0.00 0.00 0.00 0.00 61.98 61.42 3mmy s VAL 66 Cb -0.12 -1.81 -0.04 0.00 0.00 0.00 0.00 36.38 34.41 3mmy s VAL 66 CO 0.28 0.56 -0.21 -0.13 0.00 0.00 0.00 175.10 175.60 3mmy s ARG 67 N 0.26 1.33 -0.06 2.72 0.52 -0.26 -1.01 118.95 122.45 3mmy s ARG 67 Ca -0.16 -1.41 0.03 0.00 -0.52 0.00 0.00 55.73 53.68 3mmy s ARG 67 Cb -0.17 -1.53 0.00 0.00 0.52 0.00 0.00 34.95 33.77 3mmy s ARG 67 CO 0.08 0.33 -0.16 0.00 0.02 0.00 0.00 175.30 175.56 3mmy s TRP 69 N 0.34 2.03 0.02 0.00 0.51 -0.37 -0.19 118.94 121.28 3mmy s TRP 69 Ca -0.11 -0.39 -0.29 0.00 -2.12 0.00 0.00 56.10 53.19 3mmy s TRP 69 Cb -0.14 -1.26 -0.04 0.00 -0.81 0.00 0.00 33.47 31.22 3mmy s TRP 69 CO 0.04 0.03 0.94 -2.00 -0.51 0.00 0.00 176.95 175.46 3mmy s GLU 70 N -0.85 4.58 -0.27 4.98 2.12 0.28 -0.70 118.70 128.85 3mmy s GLU 70 Ca 0.09 1.37 -0.06 0.00 0.36 0.00 0.00 54.97 56.73 3mmy s GLU 70 Cb -0.09 -3.44 -0.00 0.00 0.26 0.00 0.00 34.13 30.86 3mmy s GLU 70 CO 0.00 0.04 0.04 0.08 -0.54 0.00 0.00 175.26 174.88 3mmy s VAL 71 N 0.71 3.81 0.31 3.70 1.01 0.80 -1.17 120.40 129.57 3mmy s VAL 71 Ca 0.49 -0.58 -0.06 0.00 0.00 0.00 0.00 61.98 61.83 3mmy s VAL 71 Cb -0.21 -2.88 -0.06 0.00 0.00 0.00 0.00 36.38 33.23 3mmy s VAL 71 CO 0.27 0.21 0.60 -1.10 0.00 0.00 0.00 175.10 175.09 3mmy s GLN 72 N 1.50 3.67 0.43 2.72 -0.21 0.25 -4.01 119.66 124.02 3mmy s GLN 72 Ca 0.04 0.12 0.19 0.00 0.02 0.00 0.00 55.36 55.73 3mmy s GLN 72 Cb -0.16 -2.59 1.12 0.00 1.00 0.00 0.00 33.01 32.39 3mmy s GLN 72 CO 0.01 0.16 1.86 -0.44 -2.12 0.00 0.00 175.29 174.75 3mmy h ASP 73 N 1.61 0.37 0.88 5.90 3.32 -1.94 0.93 116.42 127.48 3mmy h ASP 73 Ca -0.48 0.04 0.00 0.00 0.02 0.00 0.00 57.03 56.61 3mmy h ASP 73 Cb 1.19 -0.03 0.00 0.00 0.22 0.00 0.00 39.33 40.71 3mmy h ASP 73 CO 0.66 0.14 0.00 0.77 -1.72 0.00 0.00 179.24 179.09 3mmy h SER 74 N 0.36 0.00 0.00 6.45 4.64 -1.94 -3.30 113.55 119.76 3mmy h SER 74 Ca 0.47 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.79 3mmy h SER 74 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 3mmy h SER 74 CO -0.16 0.00 0.00 0.61 -0.87 0.00 0.00 176.83 176.41 3mmy n GLY 75 N 0.15 0.31 3.75 -0.77 0.00 0.32 -4.31 105.19 104.64 3mmy n GLY 75 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 3mmy n GLY 75 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3mmy s GLN 76 N -0.97 4.43 -0.08 1.61 0.74 -1.26 -4.82 119.66 119.31 3mmy s GLN 76 Ca 0.00 2.04 0.03 0.00 0.05 0.00 0.00 55.36 57.48 3mmy s GLN 76 Cb 0.00 -3.17 0.01 0.00 1.10 0.00 0.00 33.01 30.95 3mmy s GLN 76 CO 0.00 -0.15 -0.17 0.95 -0.55 0.00 0.00 175.29 175.36 3mmy s THR 77 N -0.39 1.54 -0.21 -0.34 -4.23 -1.26 -0.58 115.64 110.16 3mmy s THR 77 Ca 0.53 -0.72 0.02 0.00 -1.18 0.00 0.00 61.69 60.33 3mmy s THR 77 Cb -0.36 -1.36 0.03 0.00 1.34 0.00 0.00 72.50 72.16 3mmy s THR 77 CO 0.42 0.44 -0.16 -0.63 -0.54 0.00 0.00 174.62 174.15 3mmy s ILE 78 N 0.47 2.14 0.27 2.99 1.09 -0.32 -4.60 121.20 123.24 3mmy s ILE 78 Ca -0.15 -1.19 -0.30 0.00 -1.10 0.00 0.00 60.65 57.90 3mmy s ILE 78 Cb -0.16 -2.04 -0.13 0.00 -1.06 0.00 0.00 42.46 39.07 3mmy s ILE 78 CO 0.06 0.32 1.46 -2.65 -0.10 0.00 0.00 174.94 174.03 3mmy n PRO 79 N 4.56 2.28 -0.03 2.79 -0.02 -1.26 -0.55 135.00 142.76 3mmy n PRO 79 Ca -0.18 0.81 -0.04 0.00 -2.02 0.00 0.00 63.50 62.06 3mmy n PRO 79 Cb 0.47 -2.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.42 3mmy n PRO 79 CO 0.00 0.00 0.00 1.63 1.98 0.00 0.00 175.50 179.11 3mmy n LYS 80 N 1.90 0.16 -3.57 -0.52 4.76 0.73 -4.85 118.16 116.77 3mmy n LYS 80 Ca 0.10 0.04 -0.06 0.00 -2.87 0.00 0.00 58.31 55.52 3mmy n LYS 80 Cb 0.34 -1.12 -0.02 0.00 -1.84 0.00 0.00 35.03 32.39 3mmy n LYS 80 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 3mmy s ALA 81 N -2.12 -1.99 0.02 7.82 0.00 -1.20 -5.02 121.76 119.26 3mmy s ALA 81 Ca -0.08 1.40 -0.15 0.00 0.00 0.00 0.00 51.96 53.12 3mmy s ALA 81 Cb 0.02 0.06 0.02 0.00 0.00 0.00 0.00 23.12 23.23 3mmy s ALA 81 CO 0.14 -0.63 0.33 1.14 0.00 0.00 0.00 175.76 176.74 3mmy s GLN 82 N -2.65 0.77 0.14 0.00 -2.07 -1.26 -1.00 119.66 113.59 3mmy s GLN 82 Ca 0.08 -0.34 0.01 0.00 -1.82 0.00 0.00 55.36 53.29 3mmy s GLN 82 Cb -0.01 0.34 -0.04 0.00 -1.09 0.00 0.00 33.01 32.20 3mmy s GLN 82 CO -0.06 -0.24 -0.00 -0.65 -1.32 0.00 0.00 175.29 173.02 3mmy s GLN 83 N -2.00 0.97 -0.04 9.60 -1.52 -0.18 -5.00 119.66 121.49 3mmy s GLN 83 Ca -0.09 -1.45 0.05 0.00 -1.95 0.00 0.00 55.36 51.93 3mmy s GLN 83 Cb -0.03 -0.11 -0.01 0.00 -0.22 0.00 0.00 33.01 32.65 3mmy s GLN 83 CO 0.00 -0.13 -0.19 -1.64 -0.25 0.00 0.00 175.29 173.09 3mmy s MET 84 N -3.93 1.81 0.60 2.91 -1.94 -1.26 -1.09 119.30 116.39 3mmy s MET 84 Ca 0.20 -0.66 0.10 0.00 -1.71 0.00 0.00 55.69 53.62 3mmy s MET 84 Cb 0.06 -1.60 0.10 0.00 2.01 0.00 0.00 34.83 35.39 3mmy s MET 84 CO 0.00 0.30 0.80 -1.01 -0.01 0.00 0.00 175.02 175.11 3mmy s HIS 85 N -0.11 1.20 -1.72 -0.03 3.76 0.54 -5.01 115.29 113.93 3mmy s HIS 85 Ca -0.01 -0.78 0.17 0.00 -0.15 0.00 0.00 55.06 54.29 3mmy s HIS 85 Cb -0.11 -2.16 0.38 0.00 1.11 0.00 0.00 32.58 31.80 3mmy s HIS 85 CO 0.02 -1.23 1.30 0.25 -0.85 0.00 0.00 174.74 174.23 3mmy n THR 86 N -2.27 0.68 -3.88 1.30 -2.24 -1.26 -4.80 114.28 101.81 3mmy n THR 86 Ca 0.16 -0.84 -0.09 0.00 -2.27 0.00 0.00 64.05 61.00 3mmy n THR 86 Cb 0.62 0.78 -0.05 0.00 -2.10 0.00 0.00 70.33 69.58 3mmy n THR 86 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3mmy s GLY 87 N -1.15 0.25 0.21 3.38 0.00 -1.26 -4.83 107.32 103.91 3mmy s GLY 87 Ca 0.32 -0.61 -0.31 0.00 0.00 0.00 0.00 44.72 44.12 3mmy s GLY 87 CO 0.24 -0.56 1.02 -1.05 0.00 0.00 0.00 173.10 172.75 3mmy n PRO 88 N -0.29 1.03 -3.14 2.90 -0.02 -1.26 -4.36 135.00 129.86 3mmy n PRO 88 Ca -0.07 0.36 -0.40 0.00 -2.02 0.00 0.00 63.50 61.37 3mmy n PRO 88 Cb 0.63 -1.75 -0.07 0.00 -0.02 0.00 0.00 33.50 32.29 3mmy n PRO 88 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mmy s VAL 89 N -0.58 5.00 -0.13 -1.45 1.01 -0.94 -0.68 120.40 122.63 3mmy s VAL 89 Ca 0.68 1.07 0.18 0.00 0.00 0.00 0.00 61.98 63.91 3mmy s VAL 89 Cb -0.83 -3.91 -0.22 0.00 0.00 0.00 0.00 36.38 31.42 3mmy s VAL 89 CO 0.55 0.03 0.49 0.18 0.00 0.00 0.00 175.10 176.36 3mmy n LEU 90 N 5.68 0.38 -3.51 3.92 4.77 0.13 -4.11 117.00 124.26 3mmy n LEU 90 Ca -0.01 0.17 -0.15 0.00 -0.03 0.00 0.00 56.01 55.98 3mmy n LEU 90 Cb 0.49 0.20 -0.05 0.00 -2.33 0.00 0.00 43.42 41.73 3mmy n LEU 90 CO 0.42 0.23 0.39 -0.62 -1.33 0.00 0.00 177.39 176.49 3mmy s ASP 91 N -5.39 -0.59 0.02 -1.43 2.15 -1.16 -4.55 116.67 105.71 3mmy s ASP 91 Ca -0.06 0.41 -0.07 0.00 0.43 0.00 0.00 52.55 53.25 3mmy s ASP 91 Cb 0.09 0.54 -0.00 0.00 -0.30 0.00 0.00 42.92 43.25 3mmy s ASP 91 CO 0.84 -0.73 0.12 0.68 -0.17 0.00 0.00 175.17 175.91 3mmy s VAL 92 N -2.15 0.10 0.32 1.11 -7.23 -1.26 -1.14 120.40 110.16 3mmy s VAL 92 Ca -0.07 -0.86 -0.15 0.00 -1.81 0.00 0.00 61.98 59.10 3mmy s VAL 92 Cb -0.00 -0.63 0.03 0.00 0.56 0.00 0.00 36.38 36.33 3mmy s VAL 92 CO 0.01 -0.47 0.67 0.00 -0.31 0.00 0.00 175.10 175.00 3mmy s TRP 94 N -3.19 2.69 0.61 0.00 0.52 -1.26 0.17 118.94 118.48 3mmy s TRP 94 Ca 0.18 -0.20 -0.14 0.00 0.02 0.00 0.00 56.10 55.95 3mmy s TRP 94 Cb -0.04 -1.30 -0.03 0.00 -1.15 0.00 0.00 33.47 30.95 3mmy s TRP 94 CO 0.11 0.52 1.05 -1.54 0.02 0.00 0.00 176.95 177.11 3mmy s SER 95 N -2.90 5.79 0.53 2.95 1.04 -0.22 -4.62 113.70 116.27 3mmy s SER 95 Ca 0.26 1.73 0.28 0.00 0.48 0.00 0.00 55.95 58.69 3mmy s SER 95 Cb -0.09 -2.52 1.49 0.00 0.10 0.00 0.00 66.02 65.00 3mmy s SER 95 CO 0.16 -1.16 2.09 -2.24 0.98 0.00 0.00 173.24 173.07 3mmy h ASP 96 N 0.18 0.00 0.31 7.02 2.03 -1.95 -1.38 116.42 122.63 3mmy h ASP 96 Ca -0.46 0.00 0.00 0.00 -0.73 0.00 0.00 57.03 55.84 3mmy h ASP 96 Cb 1.21 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 39.71 3mmy h ASP 96 CO 0.58 0.11 -0.12 -0.90 -1.03 0.00 0.00 179.24 177.87 3mmy n ASP 97 N -3.65 0.59 0.00 4.15 5.75 -1.26 -4.56 116.55 117.57 3mmy n ASP 97 Ca -0.02 -0.69 0.00 0.00 -0.01 0.00 0.00 54.79 54.08 3mmy n ASP 97 Cb 0.22 -0.04 0.00 0.00 -1.03 0.00 0.00 41.12 40.27 3mmy n ASP 97 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mmy n GLY 98 N 1.27 0.68 0.11 6.12 0.00 -0.52 -4.60 105.19 108.24 3mmy n GLY 98 Ca 0.15 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.15 3mmy n GLY 98 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 3mmy h SER 99 N 0.00 0.00 -4.35 1.61 4.64 -1.92 -3.47 113.55 110.06 3mmy h SER 99 Ca 0.00 0.00 -0.64 0.00 -0.47 0.00 0.00 61.79 60.68 3mmy h SER 99 Cb 0.05 0.00 -0.27 0.00 -0.31 0.00 0.00 62.40 61.86 3mmy h SER 99 CO 0.00 0.68 -0.86 -0.54 -0.87 0.00 0.00 176.83 175.24 3mmy s LYS 100 N -2.86 1.66 -0.12 4.77 -0.14 -1.26 -2.40 119.74 119.39 3mmy s LYS 100 Ca 0.01 -0.96 0.01 0.00 -1.36 0.00 0.00 55.97 53.67 3mmy s LYS 100 Cb 0.08 -1.74 -0.01 0.00 -1.68 0.00 0.00 37.83 34.48 3mmy s LYS 100 CO 0.78 0.46 -0.14 0.08 -0.76 0.00 0.00 175.35 175.77 3mmy s VAL 101 N -0.72 2.96 -0.05 3.17 1.01 -0.07 -1.06 120.40 125.64 3mmy s VAL 101 Ca 0.09 -0.70 -0.00 0.00 0.00 0.00 0.00 61.98 61.37 3mmy s VAL 101 Cb -0.09 -2.22 -0.03 0.00 0.00 0.00 0.00 36.38 34.03 3mmy s VAL 101 CO 0.01 0.54 -0.01 -0.36 0.00 0.00 0.00 175.10 175.27 3mmy s PHE 102 N 0.21 3.08 0.00 5.22 0.40 0.13 -0.23 117.98 126.79 3mmy s PHE 102 Ca -0.09 0.12 0.02 0.00 -0.60 0.00 0.00 56.93 56.39 3mmy s PHE 102 Cb -0.15 -1.73 -0.01 0.00 0.51 0.00 0.00 43.02 41.64 3mmy s PHE 102 CO 0.05 0.44 -0.08 0.95 0.70 0.00 0.00 175.22 177.28 3mmy s THR 103 N -0.94 0.62 -0.05 0.64 -4.23 -0.45 -1.27 115.64 109.96 3mmy s THR 103 Ca 0.15 -0.44 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 3mmy s THR 103 Cb -0.11 -0.54 0.01 0.00 1.34 0.00 0.00 72.50 73.19 3mmy s THR 103 CO 0.05 0.10 -0.14 0.00 -0.54 0.00 0.00 174.62 174.09 3mmy s ALA 104 N -0.34 1.31 0.11 3.99 0.00 -0.29 -0.88 121.76 125.66 3mmy s ALA 104 Ca 0.01 -0.51 0.04 0.00 0.00 0.00 0.00 51.96 51.50 3mmy s ALA 104 Cb -0.04 -0.52 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 3mmy s ALA 104 CO -0.00 0.18 -0.10 0.45 0.00 0.00 0.00 175.76 176.29 3mmy s SER 105 N 0.38 1.48 0.40 0.00 0.15 -0.81 -0.69 113.70 114.61 3mmy s SER 105 Ca -0.09 -0.89 0.28 0.00 0.70 0.00 0.00 55.95 55.94 3mmy s SER 105 Cb -0.13 0.02 1.45 0.00 -1.71 0.00 0.00 66.02 65.64 3mmy s SER 105 CO 0.03 -0.31 1.84 0.00 1.20 0.00 0.00 173.24 176.01 3mmy n ASP 107 N -2.48 0.00 0.00 0.00 5.68 -1.26 -4.32 116.55 114.17 3mmy n ASP 107 Ca -0.01 -0.87 0.00 0.00 -0.50 0.00 0.00 54.79 53.40 3mmy n ASP 107 Cb 0.08 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.06 3mmy n ASP 107 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mmy n LYS 108 N -0.79 0.00 -4.49 0.11 5.02 -0.93 -4.99 118.16 112.10 3mmy n LYS 108 Ca 0.08 0.02 -0.23 0.00 -2.02 0.00 0.00 58.31 56.17 3mmy n LYS 108 Cb 0.04 -2.93 -0.11 0.00 -0.02 0.00 0.00 35.03 32.01 3mmy n LYS 108 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mmy s THR 109 N -2.00 1.59 0.05 -0.18 -4.23 -1.25 -0.66 115.64 108.96 3mmy s THR 109 Ca 0.00 -2.06 0.06 0.00 -1.18 0.00 0.00 61.69 58.51 3mmy s THR 109 Cb 0.00 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.10 3mmy s THR 109 CO 0.00 -0.12 -0.17 0.00 -0.54 0.00 0.00 174.62 173.80 3mmy s ALA 110 N -3.03 1.42 0.17 3.99 0.00 -0.93 -1.93 121.76 121.46 3mmy s ALA 110 Ca 0.34 -0.96 0.09 0.00 0.00 0.00 0.00 51.96 51.43 3mmy s ALA 110 Cb 0.07 -0.23 -0.04 0.00 0.00 0.00 0.00 23.12 22.92 3mmy s ALA 110 CO 0.15 0.28 -0.14 0.15 0.00 0.00 0.00 175.76 176.20 3mmy s LYS 111 N -1.29 1.89 -0.22 0.00 1.02 -0.06 -0.63 119.74 120.46 3mmy s LYS 111 Ca 0.04 -1.32 -0.05 0.00 0.02 0.00 0.00 55.97 54.66 3mmy s LYS 111 Cb -0.09 -2.08 -0.02 0.00 -0.52 0.00 0.00 37.83 35.13 3mmy s LYS 111 CO 0.02 0.43 -0.01 1.41 -0.92 0.00 0.00 175.35 176.28 3mmy s MET 112 N -2.70 3.51 -0.31 1.68 -2.45 0.31 -1.34 119.30 118.01 3mmy s MET 112 Ca 0.23 -0.56 -0.04 0.00 -1.25 0.00 0.00 55.69 54.07 3mmy s MET 112 Cb -0.09 -3.08 0.04 0.00 1.25 0.00 0.00 34.83 32.95 3mmy s MET 112 CO 0.13 -0.11 0.04 -0.46 1.05 0.00 0.00 175.02 175.67 3mmy s TRP 113 N 1.29 3.23 -0.45 4.11 -0.00 0.68 -1.50 118.94 126.29 3mmy s TRP 113 Ca 0.04 -1.61 -0.25 0.00 -0.00 0.00 0.00 56.10 54.28 3mmy s TRP 113 Cb -0.15 -2.17 0.03 0.00 -0.00 0.00 0.00 33.47 31.18 3mmy s TRP 113 CO 0.00 -0.75 0.90 0.34 -0.00 0.00 0.00 176.95 177.44 3mmy s ASP 114 N 1.33 6.49 0.19 5.86 2.15 0.29 -0.89 116.67 132.09 3mmy s ASP 114 Ca -0.03 0.10 -0.09 0.00 0.43 0.00 0.00 52.55 52.97 3mmy s ASP 114 Cb -0.19 -2.44 0.11 0.00 -0.30 0.00 0.00 42.92 40.09 3mmy s ASP 114 CO 0.00 -1.02 1.70 -0.07 -0.17 0.00 0.00 175.17 175.61 3mmy h LEU 115 N 10.47 1.08 -0.91 -1.34 3.38 -1.77 0.29 115.31 126.51 3mmy h LEU 115 Ca -0.24 -0.25 -0.05 0.00 0.09 0.00 0.00 57.88 57.43 3mmy h LEU 115 Cb 1.08 -0.29 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 3mmy h LEU 115 CO 1.01 1.06 0.21 0.77 0.09 0.00 0.00 178.44 181.58 3mmy h SER 116 N 1.06 0.94 0.06 -0.43 4.64 -1.93 -2.58 113.55 115.32 3mmy h SER 116 Ca 0.21 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 3mmy h SER 116 Cb 0.42 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 62.27 3mmy h SER 116 CO 0.01 0.88 -0.35 -1.54 -0.87 0.00 0.00 176.83 174.96 3mmy n SER 117 N -4.27 1.79 -3.59 4.97 3.41 -1.20 -4.98 113.62 109.76 3mmy n SER 117 Ca 0.05 -1.37 -0.26 0.00 -0.26 0.00 0.00 58.87 57.03 3mmy n SER 117 Cb 0.22 0.31 -0.01 0.00 -0.26 0.00 0.00 64.21 64.46 3mmy n SER 117 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 3mmy n ASN 118 N -0.08 -3.35 -4.67 4.04 5.15 0.07 -4.98 115.26 111.43 3mmy n ASN 118 Ca 0.11 -0.53 -0.35 0.00 -0.60 0.00 0.00 54.58 53.21 3mmy n ASN 118 Cb 0.44 -2.78 -0.09 0.00 -0.53 0.00 0.00 39.78 36.81 3mmy n ASN 118 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 3mmy s GLN 119 N -6.24 3.16 -0.03 1.20 -0.21 -1.06 -4.95 119.66 111.52 3mmy s GLN 119 Ca 0.49 -0.39 0.06 0.00 0.02 0.00 0.00 55.36 55.53 3mmy s GLN 119 Cb -0.26 -2.87 -0.01 0.00 1.00 0.00 0.00 33.01 30.87 3mmy s GLN 119 CO 0.60 0.63 -0.22 0.00 -2.12 0.00 0.00 175.29 174.17 3mmy s ALA 120 N -0.67 1.90 0.07 6.09 0.00 -1.26 -0.55 121.76 127.34 3mmy s ALA 120 Ca 0.11 -0.94 0.06 0.00 0.00 0.00 0.00 51.96 51.18 3mmy s ALA 120 Cb -0.12 -0.54 -0.03 0.00 0.00 0.00 0.00 23.12 22.43 3mmy s ALA 120 CO 0.02 0.41 -0.16 0.96 0.00 0.00 0.00 175.76 177.00 3mmy s ILE 121 N -0.31 1.23 0.23 0.00 -4.36 -0.56 -4.97 121.20 112.47 3mmy s ILE 121 Ca 0.02 -1.32 -0.30 0.00 -0.26 0.00 0.00 60.65 58.79 3mmy s ILE 121 Cb -0.11 -1.16 -0.10 0.00 1.25 0.00 0.00 42.46 42.34 3mmy s ILE 121 CO 0.01 -0.17 1.43 -1.58 0.24 0.00 0.00 174.94 174.88 3mmy s GLN 122 N -1.71 4.28 0.00 0.37 0.74 -1.26 -0.53 119.66 121.55 3mmy s GLN 122 Ca 0.00 2.27 0.00 0.00 0.05 0.00 0.00 55.36 57.68 3mmy s GLN 122 Cb -0.10 -3.12 0.00 0.00 1.10 0.00 0.00 33.01 30.89 3mmy s GLN 122 CO 0.03 -0.42 0.06 0.44 -0.55 0.00 0.00 175.29 174.84 3mmy n ILE 123 N 2.52 0.00 -3.72 -2.34 -5.35 0.20 -4.86 119.36 105.81 3mmy n ILE 123 Ca 0.07 -0.36 -0.14 0.00 -0.27 0.00 0.00 62.75 62.06 3mmy n ILE 123 Cb 0.40 1.04 -0.09 0.00 -1.74 0.00 0.00 39.64 39.26 3mmy n ILE 123 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 3mmy s ALA 124 N -0.60 -0.97 -0.01 -1.28 0.00 -1.14 -4.70 121.76 113.06 3mmy s ALA 124 Ca 0.00 0.66 0.00 0.00 0.00 0.00 0.00 51.96 52.62 3mmy s ALA 124 Cb 0.00 -0.11 0.01 0.00 0.00 0.00 0.00 23.12 23.01 3mmy s ALA 124 CO 0.00 -0.26 0.00 -1.14 0.00 0.00 0.00 175.76 174.36 3mmy s GLN 125 N -0.94 0.06 0.32 0.00 2.00 -1.26 -2.20 119.66 117.65 3mmy s GLN 125 Ca -0.10 0.03 0.03 0.00 -2.00 0.00 0.00 55.36 53.32 3mmy s GLN 125 Cb -0.04 -0.13 -0.06 0.00 0.80 0.00 0.00 33.01 33.58 3mmy s GLN 125 CO 0.04 -0.03 0.07 -1.01 -0.50 0.00 0.00 175.29 173.86 3mmy s HIS 126 N 0.29 1.87 -2.44 1.67 3.76 0.16 -5.01 115.29 115.59 3mmy s HIS 126 Ca -0.02 -1.04 0.22 0.00 -0.15 0.00 0.00 55.06 54.07 3mmy s HIS 126 Cb -0.04 -1.20 0.53 0.00 1.11 0.00 0.00 32.58 32.97 3mmy s HIS 126 CO -0.01 -0.09 1.45 -0.25 -0.85 0.00 0.00 174.74 174.99 3mmy n ASP 127 N -0.73 2.80 -3.56 1.40 8.00 -1.26 -4.83 116.55 118.36 3mmy n ASP 127 Ca -0.02 -1.90 -0.10 0.00 0.71 0.00 0.00 54.79 53.48 3mmy n ASP 127 Cb 0.66 -0.19 -0.02 0.00 -0.02 0.00 0.00 41.12 41.55 3mmy n ASP 127 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 3mmy s ALA 128 N -1.63 -0.37 0.24 2.24 0.00 -1.26 -4.90 121.76 116.08 3mmy s ALA 128 Ca 0.36 -0.85 -0.29 0.00 0.00 0.00 0.00 51.96 51.17 3mmy s ALA 128 Cb 0.21 0.94 -0.15 0.00 0.00 0.00 0.00 23.12 24.12 3mmy s ALA 128 CO 0.30 -0.91 0.89 -2.30 0.00 0.00 0.00 175.76 173.73 3mmy n PRO 129 N -0.47 0.89 -3.07 0.00 -0.02 -1.26 -4.37 135.00 126.70 3mmy n PRO 129 Ca -0.03 0.31 -0.42 0.00 -2.02 0.00 0.00 63.50 61.34 3mmy n PRO 129 Cb 0.61 -1.59 -0.06 0.00 -0.02 0.00 0.00 33.50 32.43 3mmy n PRO 129 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 3mmy s VAL 130 N -0.89 4.87 -0.08 -1.45 1.01 -0.38 -1.96 120.40 121.51 3mmy s VAL 130 Ca 0.63 0.77 0.10 0.00 0.00 0.00 0.00 61.98 63.48 3mmy s VAL 130 Cb -0.81 -4.09 -0.24 0.00 0.00 0.00 0.00 36.38 31.25 3mmy s VAL 130 CO 0.58 -0.28 0.52 1.17 0.00 0.00 0.00 175.10 177.08 3mmy n LYS 131 N 6.08 0.66 -4.06 2.72 3.00 0.24 -3.62 118.16 123.17 3mmy n LYS 131 Ca 0.00 0.25 -0.12 0.00 -0.00 0.00 0.00 58.31 58.44 3mmy n LYS 131 Cb 0.49 -1.74 -0.11 0.00 0.00 0.00 0.00 35.03 33.66 3mmy n LYS 131 CO 0.00 0.00 0.00 0.95 0.00 0.00 0.00 177.40 178.35 3mmy s THR 132 N -2.58 0.50 -0.12 3.15 -4.23 -0.97 -4.31 115.64 107.08 3mmy s THR 132 Ca -0.09 -1.16 -0.08 0.00 -1.18 0.00 0.00 61.69 59.18 3mmy s THR 132 Cb 0.08 -0.70 0.04 0.00 1.34 0.00 0.00 72.50 73.26 3mmy s THR 132 CO 0.81 -0.46 0.30 -0.51 -0.54 0.00 0.00 174.62 174.22 3mmy s ILE 133 N -1.67 -0.02 0.03 2.99 2.07 -1.26 -2.07 121.20 121.27 3mmy s ILE 133 Ca -0.08 0.09 -0.03 0.00 -1.41 0.00 0.00 60.65 59.21 3mmy s ILE 133 Cb -0.08 -0.45 -0.02 0.00 0.13 0.00 0.00 42.46 42.04 3mmy s ILE 133 CO -0.01 0.04 0.04 -1.00 -1.91 0.00 0.00 174.94 172.10 3mmy s HIS 134 N 0.93 0.25 -0.21 3.50 3.76 -0.28 -4.59 115.29 118.65 3mmy s HIS 134 Ca -0.06 -0.56 -0.09 0.00 -0.15 0.00 0.00 55.06 54.19 3mmy s HIS 134 Cb -0.07 -0.19 -0.05 0.00 1.11 0.00 0.00 32.58 33.38 3mmy s HIS 134 CO -0.07 -0.30 0.11 -0.46 -0.85 0.00 0.00 174.74 173.18 3mmy s TRP 135 N -2.29 3.31 -0.25 1.40 -0.11 -1.26 -0.34 118.94 119.39 3mmy s TRP 135 Ca -0.08 0.17 -0.05 0.00 1.22 0.00 0.00 56.10 57.35 3mmy s TRP 135 Cb -0.03 -2.17 -0.00 0.00 -1.50 0.00 0.00 33.47 29.76 3mmy s TRP 135 CO -0.04 0.14 0.02 0.42 -4.62 0.00 0.00 176.95 172.87 3mmy s ILE 136 N 0.64 3.72 -0.43 5.86 1.01 0.46 -4.98 121.20 127.48 3mmy s ILE 136 Ca 0.06 -0.53 -0.05 0.00 0.00 0.00 0.00 60.65 60.13 3mmy s ILE 136 Cb -0.12 -2.79 0.11 0.00 0.01 0.00 0.00 42.46 39.67 3mmy s ILE 136 CO 0.01 0.28 0.25 -0.75 0.00 0.00 0.00 174.94 174.73 3mmy s LYS 137 N 1.50 2.16 0.35 2.79 2.20 -1.26 -1.37 119.74 126.11 3mmy s LYS 137 Ca 0.04 -1.82 0.04 0.00 -0.36 0.00 0.00 55.97 53.88 3mmy s LYS 137 Cb -0.16 -3.70 -0.01 0.00 -1.51 0.00 0.00 37.83 32.45 3mmy s LYS 137 CO -0.00 -1.12 0.50 0.00 -0.36 0.00 0.00 175.35 174.38 3mmy s ALA 138 N 1.19 4.04 0.39 3.13 0.00 0.18 -4.93 121.76 125.77 3mmy s ALA 138 Ca 0.08 -1.29 0.06 0.00 0.00 0.00 0.00 51.96 50.80 3mmy s ALA 138 Cb -0.24 -1.82 0.80 0.00 0.00 0.00 0.00 23.12 21.86 3mmy s ALA 138 CO -0.03 -0.07 2.04 -1.00 0.00 0.00 0.00 175.76 176.70 3mmy h PRO 139 N 0.81 0.60 0.00 0.00 0.13 -1.98 -3.23 132.00 128.34 3mmy h PRO 139 Ca -0.47 -0.04 0.00 0.00 -0.87 0.00 0.00 66.00 64.62 3mmy h PRO 139 Cb 1.25 -0.13 0.00 0.00 0.13 0.00 0.00 31.00 32.25 3mmy h PRO 139 CO 0.56 0.41 -1.38 0.27 -0.23 0.00 0.00 178.00 177.63 3mmy n ASN 140 N -4.46 0.72 -3.81 1.44 6.94 -1.26 -5.02 115.26 109.81 3mmy n ASN 140 Ca 0.04 -0.49 -0.10 0.00 -0.02 0.00 0.00 54.58 54.01 3mmy n ASN 140 Cb 0.06 1.43 -0.05 0.00 -2.36 0.00 0.00 39.78 38.87 3mmy n ASN 140 CO 0.00 0.00 0.00 -0.72 -1.03 0.00 0.00 177.26 175.51 3mmy s TYR 141 N -3.07 0.06 -0.02 -2.53 1.13 -1.22 -5.15 117.35 106.55 3mmy s TYR 141 Ca 0.00 -0.41 0.01 0.00 -1.41 0.00 0.00 57.07 55.26 3mmy s TYR 141 Cb 0.13 0.21 0.02 0.00 -1.10 0.00 0.00 41.96 41.22 3mmy s TYR 141 CO 0.80 -0.81 -0.01 -1.12 -2.51 0.00 0.00 175.55 171.90 3mmy s SER 142 N -2.90 0.40 0.24 -0.18 0.01 -1.26 -0.64 113.70 109.38 3mmy s SER 142 Ca 0.11 -0.04 -0.16 0.00 1.31 0.00 0.00 55.95 57.17 3mmy s SER 142 Cb 0.01 -0.17 0.01 0.00 0.21 0.00 0.00 66.02 66.07 3mmy s SER 142 CO -0.03 -0.06 0.55 0.00 0.41 0.00 0.00 173.24 174.10 3mmy s VAL 144 N -3.96 5.46 -0.19 0.00 1.01 -0.01 -0.40 120.40 122.31 3mmy s VAL 144 Ca 0.16 0.22 -0.05 0.00 0.00 0.00 0.00 61.98 62.32 3mmy s VAL 144 Cb -0.02 -3.44 -0.02 0.00 0.00 0.00 0.00 36.38 32.90 3mmy s VAL 144 CO 0.06 0.55 -0.01 -0.32 0.00 0.00 0.00 175.10 175.37 3mmy s MET 145 N -0.46 3.62 -0.02 2.72 1.75 0.54 -0.61 119.30 126.83 3mmy s MET 145 Ca 0.12 -0.53 0.06 0.00 -1.25 0.00 0.00 55.69 54.10 3mmy s MET 145 Cb -0.12 -3.02 -0.02 0.00 2.84 0.00 0.00 34.83 34.51 3mmy s MET 145 CO 0.02 0.08 -0.21 0.99 -0.65 0.00 0.00 175.02 175.24 3mmy s THR 146 N 0.81 2.49 -0.03 10.11 2.01 0.15 -1.13 115.64 130.05 3mmy s THR 146 Ca -0.00 -1.00 0.06 0.00 0.31 0.00 0.00 61.69 61.07 3mmy s THR 146 Cb -0.14 -1.93 -0.01 0.00 0.01 0.00 0.00 72.50 70.42 3mmy s THR 146 CO 0.02 0.55 -0.22 -0.83 -0.69 0.00 0.00 174.62 173.45 3mmy s GLY 147 N -0.77 1.09 0.13 4.40 0.00 -0.88 -0.77 107.32 110.52 3mmy s GLY 147 Ca 0.11 -0.92 0.04 0.00 0.00 0.00 0.00 44.72 43.94 3mmy s GLY 147 CO 0.00 -0.69 -0.09 -0.45 0.00 0.00 0.00 173.10 171.87 3mmy s SER 148 N -0.36 1.56 0.00 1.64 0.15 -0.86 -0.60 113.70 115.23 3mmy s SER 148 Ca 0.04 -0.99 0.13 0.00 0.70 0.00 0.00 55.95 55.83 3mmy s SER 148 Cb -0.10 0.02 0.70 0.00 -1.71 0.00 0.00 66.02 64.94 3mmy s SER 148 CO 0.00 -0.37 1.31 0.79 1.20 0.00 0.00 173.24 176.18 3mmy n TRP 149 N -0.08 0.00 1.75 3.44 8.01 -0.83 -1.95 117.44 127.78 3mmy n TRP 149 Ca -0.11 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.12 3mmy n TRP 149 Cb 0.60 -0.21 0.23 0.00 -2.01 0.00 0.00 31.31 29.92 3mmy n TRP 149 CO 0.00 0.00 0.00 -0.40 -1.01 0.00 0.00 177.69 176.28 3mmy n ASP 150 N -1.21 0.45 -0.98 -0.99 5.68 -1.26 -4.71 116.55 113.52 3mmy n ASP 150 Ca 0.07 -1.80 -0.10 0.00 -0.50 0.00 0.00 54.79 52.47 3mmy n ASP 150 Cb 0.09 -0.05 -0.02 0.00 -1.14 0.00 0.00 41.12 40.01 3mmy n ASP 150 CO 0.00 0.00 0.00 0.29 -1.33 0.00 0.00 177.20 176.16 3mmy n LYS 151 N -0.35 -0.74 -4.33 0.11 5.02 -0.83 -4.99 118.16 112.05 3mmy n LYS 151 Ca 0.08 0.60 -0.19 0.00 -2.02 0.00 0.00 58.31 56.77 3mmy n LYS 151 Cb 0.10 -4.60 -0.11 0.00 -0.02 0.00 0.00 35.03 30.40 3mmy n LYS 151 CO 0.00 0.00 0.00 0.95 -0.52 0.00 0.00 177.40 177.83 3mmy s THR 152 N -2.44 1.73 -0.14 -0.18 -4.23 -1.25 0.06 115.64 109.18 3mmy s THR 152 Ca 0.00 -2.06 0.03 0.00 -1.18 0.00 0.00 61.69 58.47 3mmy s THR 152 Cb 0.00 -1.92 0.01 0.00 1.34 0.00 0.00 72.50 71.92 3mmy s THR 152 CO 0.00 -0.48 -0.22 -0.22 -0.54 0.00 0.00 174.62 173.16 3mmy s LEU 153 N -3.01 2.12 0.16 4.79 2.96 0.04 -2.04 118.68 123.69 3mmy s LEU 153 Ca 0.19 -0.60 0.09 0.00 -0.22 0.00 0.00 54.13 53.59 3mmy s LEU 153 Cb -0.03 -1.45 -0.04 0.00 0.50 0.00 0.00 46.19 45.18 3mmy s LEU 153 CO 0.06 0.09 -0.19 -0.54 -1.32 0.00 0.00 176.35 174.45 3mmy s LYS 154 N 0.78 1.28 -0.06 1.98 1.02 0.05 -0.49 119.74 124.29 3mmy s LYS 154 Ca -0.08 -1.38 0.03 0.00 0.02 0.00 0.00 55.97 54.57 3mmy s LYS 154 Cb -0.16 -1.40 0.01 0.00 -0.52 0.00 0.00 37.83 35.76 3mmy s LYS 154 CO -0.01 0.29 -0.15 -0.06 -0.92 0.00 0.00 175.35 174.50 3mmy s PHE 155 N -1.85 1.66 -0.03 3.18 0.08 -0.76 -0.67 117.98 119.59 3mmy s PHE 155 Ca 0.15 -0.57 0.03 0.00 0.12 0.00 0.00 56.93 56.66 3mmy s PHE 155 Cb -0.07 -1.16 0.00 0.00 -0.57 0.00 0.00 43.02 41.22 3mmy s PHE 155 CO 0.07 -0.25 -0.11 -1.58 -0.10 0.00 0.00 175.22 173.25 3mmy s TRP 156 N 0.38 1.14 -1.91 0.36 0.52 0.22 0.39 118.94 120.04 3mmy s TRP 156 Ca -0.11 -0.30 0.30 0.00 0.02 0.00 0.00 56.10 56.01 3mmy s TRP 156 Cb -0.14 -0.80 1.40 0.00 -1.15 0.00 0.00 33.47 32.78 3mmy s TRP 156 CO 0.04 -0.12 1.95 -0.40 0.02 0.00 0.00 176.95 178.44 3mmy n ASP 157 N 3.27 0.52 0.00 2.95 5.68 -1.26 -0.83 116.55 126.89 3mmy n ASP 157 Ca -0.18 -0.86 0.00 0.00 -0.50 0.00 0.00 54.79 53.24 3mmy n ASP 157 Cb 0.54 -0.05 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 3mmy n ASP 157 CO 0.00 0.00 0.00 0.35 -1.33 0.00 0.00 177.20 176.22 3mmy n THR 158 N -0.76 0.00 -0.05 2.12 -2.24 -1.26 -4.81 114.28 107.27 3mmy n THR 158 Ca 0.18 0.00 -0.08 0.00 -2.27 0.00 0.00 64.05 61.88 3mmy n THR 158 Cb 0.24 -0.10 -0.05 0.00 -2.10 0.00 0.00 70.33 68.33 3mmy n THR 158 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 3mmy n ARG 159 N -2.00 0.27 -4.00 -0.78 1.85 -1.26 -4.94 116.66 105.80 3mmy n ARG 159 Ca 0.00 0.07 -0.29 0.00 -1.00 0.00 0.00 57.85 56.63 3mmy n ARG 159 Cb 0.00 -1.19 -0.05 0.00 -1.05 0.00 0.00 32.46 30.17 3mmy n ARG 159 CO 0.00 0.00 0.00 -1.54 -0.01 0.00 0.00 177.63 176.08 3mmy s SER 160 N -5.15 5.92 0.00 2.89 1.04 -1.26 -5.01 113.70 112.14 3mmy s SER 160 Ca -0.15 0.09 0.28 0.00 0.48 0.00 0.00 55.95 56.65 3mmy s SER 160 Cb 0.04 -1.70 1.17 0.00 0.10 0.00 0.00 66.02 65.63 3mmy s SER 160 CO 0.25 0.13 1.82 -1.54 0.98 0.00 0.00 173.24 174.88 3mmy n SER 161 N 0.09 0.48 -4.69 7.02 3.41 -1.26 -4.71 113.62 113.96 3mmy n SER 161 Ca -0.07 -0.53 -0.40 0.00 -0.26 0.00 0.00 58.87 57.61 3mmy n SER 161 Cb 0.52 -0.07 -0.05 0.00 -0.26 0.00 0.00 64.21 64.35 3mmy n SER 161 CO 0.00 0.00 0.00 0.20 -0.16 0.00 0.00 175.04 175.08 3mmy s ASN 162 N -2.52 6.85 0.38 4.04 0.01 -1.26 -4.90 114.94 117.53 3mmy s ASN 162 Ca 0.27 1.02 -0.28 0.00 -0.71 0.00 0.00 52.86 53.17 3mmy s ASN 162 Cb 0.20 -2.38 -0.10 0.00 0.41 0.00 0.00 41.25 39.37 3mmy s ASN 162 CO 0.49 -0.19 1.43 -2.16 -1.51 0.00 0.00 177.10 175.16 3mmy s PRO 163 N 1.31 4.11 0.20 -0.60 0.04 -1.26 -4.81 135.00 133.99 3mmy s PRO 163 Ca 0.33 2.45 0.24 0.00 0.04 0.00 0.00 61.00 64.06 3mmy s PRO 163 Cb -0.17 -2.95 0.91 0.00 0.04 0.00 0.00 34.50 32.34 3mmy s PRO 163 CO 0.14 -0.48 1.73 0.00 0.04 0.00 0.00 177.00 178.43 3mmy n MET 164 N 0.45 0.18 -3.59 4.56 0.00 0.16 -4.81 117.12 114.08 3mmy n MET 164 Ca 0.01 0.30 -0.11 0.00 0.00 0.00 0.00 57.70 57.90 3mmy n MET 164 Cb 0.40 -1.78 -0.06 0.00 0.00 0.00 0.00 33.22 31.78 3mmy n MET 164 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 175.97 177.38 3mmy s MET 165 N -3.18 0.61 -0.12 3.17 -2.45 -1.23 -4.99 119.30 111.10 3mmy s MET 165 Ca 0.08 0.27 -0.00 0.00 -1.25 0.00 0.00 55.69 54.78 3mmy s MET 165 Cb 0.11 0.29 0.03 0.00 1.25 0.00 0.00 34.83 36.51 3mmy s MET 165 CO 0.46 -0.16 -0.07 0.08 1.05 0.00 0.00 175.02 176.38 3mmy s VAL 166 N -0.77 1.04 -0.09 10.11 1.01 -1.26 -1.82 120.40 128.61 3mmy s VAL 166 Ca -0.01 -0.36 -0.01 0.00 0.00 0.00 0.00 61.98 61.60 3mmy s VAL 166 Cb -0.02 -1.09 -0.03 0.00 0.00 0.00 0.00 36.38 35.24 3mmy s VAL 166 CO 0.00 0.32 -0.05 -0.76 0.00 0.00 0.00 175.10 174.61 3mmy s LEU 167 N 1.69 3.27 0.04 3.92 1.43 0.35 -4.97 118.68 124.41 3mmy s LEU 167 Ca 0.04 -0.02 -0.24 0.00 -1.03 0.00 0.00 54.13 52.88 3mmy s LEU 167 Cb -0.13 -1.74 -0.05 0.00 0.03 0.00 0.00 46.19 44.30 3mmy s LEU 167 CO -0.08 0.32 0.74 -1.58 0.23 0.00 0.00 176.35 175.97 3mmy s GLN 168 N -0.53 4.47 0.12 1.70 2.00 -1.26 -0.78 119.66 125.37 3mmy s GLN 168 Ca 0.08 1.01 0.03 0.00 -2.00 0.00 0.00 55.36 54.48 3mmy s GLN 168 Cb -0.12 -3.36 -0.04 0.00 0.80 0.00 0.00 33.01 30.30 3mmy s GLN 168 CO 0.02 0.31 0.21 -0.51 -0.50 0.00 0.00 175.29 174.82 3mmy s LEU 169 N -0.11 4.16 0.54 3.68 1.43 0.11 -4.92 118.68 123.58 3mmy s LEU 169 Ca 0.37 0.11 0.36 0.00 -1.03 0.00 0.00 54.13 53.93 3mmy s LEU 169 Cb -0.20 -2.76 1.69 0.00 0.03 0.00 0.00 46.19 44.94 3mmy s LEU 169 CO 0.22 0.10 2.07 1.55 0.23 0.00 0.00 176.35 180.51 3mmy h PRO 170 N 2.54 0.00 0.00 1.29 0.13 -1.97 -3.46 132.00 130.53 3mmy h PRO 170 Ca -0.47 0.00 0.10 0.00 -0.87 0.00 0.00 66.00 64.76 3mmy h PRO 170 Cb 1.18 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.30 3mmy h PRO 170 CO 0.69 0.00 0.48 0.39 -0.23 0.00 0.00 178.00 179.33 3mmy n GLU 171 N -2.92 0.75 -1.73 0.86 -0.58 -1.26 -5.04 120.64 110.71 3mmy n GLU 171 Ca -0.01 -1.60 -0.42 0.00 -0.42 0.00 0.00 57.16 54.71 3mmy n GLU 171 Cb 0.19 2.11 -0.02 0.00 -0.57 0.00 0.00 31.44 33.15 3mmy n GLU 171 CO 0.00 0.00 0.00 0.54 -0.48 0.00 0.00 177.13 177.19 3mmy n ARG 172 N -0.64 2.69 -1.98 3.49 1.74 -1.26 -4.53 116.66 116.17 3mmy n ARG 172 Ca -0.04 0.96 -0.42 0.00 -0.77 0.00 0.00 57.85 57.58 3mmy n ARG 172 Cb 0.56 -2.77 -0.03 0.00 -1.02 0.00 0.00 32.46 29.20 3mmy n ARG 172 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 3mmy n TYR 174 N 7.33 0.00 -3.54 0.00 4.02 -0.11 -4.47 117.16 120.37 3mmy n TYR 174 Ca 0.18 0.00 -0.08 0.00 -0.01 0.00 0.00 57.90 57.99 3mmy n TYR 174 Cb 0.43 -0.90 -0.02 0.00 -0.02 0.00 0.00 39.34 38.83 3mmy n TYR 174 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 176.86 175.85 3mmy s ALA 176 N -3.20 -1.56 0.05 0.00 0.00 -1.26 -0.88 121.76 114.91 3mmy s ALA 176 Ca 0.06 0.54 -0.08 0.00 0.00 0.00 0.00 51.96 52.48 3mmy s ALA 176 Cb -0.01 0.77 -0.00 0.00 0.00 0.00 0.00 23.12 23.87 3mmy s ALA 176 CO -0.07 -0.71 0.16 0.34 0.00 0.00 0.00 175.76 175.47 3mmy s ASP 177 N -2.57 0.11 -0.06 0.00 2.15 -0.34 -4.82 116.67 111.15 3mmy s ASP 177 Ca -0.00 -0.49 -0.01 0.00 0.43 0.00 0.00 52.55 52.47 3mmy s ASP 177 Cb -0.01 0.28 0.03 0.00 -0.30 0.00 0.00 42.92 42.92 3mmy s ASP 177 CO -0.10 -0.58 0.01 -0.69 -0.17 0.00 0.00 175.17 173.64 3mmy s VAL 178 N -2.88 0.27 -0.25 1.11 1.01 -1.26 -1.03 120.40 117.36 3mmy s VAL 178 Ca -0.03 0.15 -0.01 0.00 0.00 0.00 0.00 61.98 62.10 3mmy s VAL 178 Cb 0.00 -0.42 0.08 0.00 0.00 0.00 0.00 36.38 36.04 3mmy s VAL 178 CO -0.06 0.22 0.03 -0.63 0.00 0.00 0.00 175.10 174.67 3mmy s ILE 179 N 1.77 1.01 0.23 2.22 1.01 -0.25 -5.02 121.20 122.17 3mmy s ILE 179 Ca 0.01 -1.11 -0.31 0.00 0.00 0.00 0.00 60.65 59.24 3mmy s ILE 179 Cb -0.13 -1.54 -0.15 0.00 0.01 0.00 0.00 42.46 40.66 3mmy s ILE 179 CO -0.04 -0.36 1.12 0.00 0.00 0.00 0.00 174.94 175.67 3mmy n TYR 180 N 4.84 1.37 -0.19 3.97 9.36 -1.26 -0.15 117.16 135.10 3mmy n TYR 180 Ca -0.07 0.66 -0.06 0.00 3.32 0.00 0.00 57.90 61.76 3mmy n TYR 180 Cb 0.44 -2.29 0.16 0.00 -0.63 0.00 0.00 39.34 37.03 3mmy n TYR 180 CO 0.00 0.00 0.00 -0.35 0.22 0.00 0.00 176.86 176.73 3mmy n PRO 181 N 1.38 2.41 -5.01 2.98 -0.04 -1.26 -4.79 135.00 130.67 3mmy n PRO 181 Ca 0.12 -1.76 -0.32 0.00 -0.04 0.00 0.00 63.50 61.50 3mmy n PRO 181 Cb 0.28 -1.80 -0.14 0.00 -0.04 0.00 0.00 33.50 31.80 3mmy n PRO 181 CO 0.00 0.00 0.00 1.41 -0.04 0.00 0.00 175.50 176.87 3mmy s MET 182 N -1.94 2.53 0.06 0.54 0.00 0.79 -1.03 119.30 120.25 3mmy s MET 182 Ca 0.32 -0.77 0.06 0.00 0.00 0.00 0.00 55.69 55.30 3mmy s MET 182 Cb 0.26 -2.31 -0.03 0.00 0.00 0.00 0.00 34.83 32.75 3mmy s MET 182 CO 0.08 0.53 -0.17 0.00 0.00 0.00 0.00 175.02 175.46 3mmy s ALA 183 N -0.51 1.44 -0.04 4.11 0.00 -0.68 -1.09 121.76 124.99 3mmy s ALA 183 Ca 0.07 -1.02 0.03 0.00 0.00 0.00 0.00 51.96 51.04 3mmy s ALA 183 Cb -0.11 -0.20 0.01 0.00 0.00 0.00 0.00 23.12 22.81 3mmy s ALA 183 CO 0.01 0.27 -0.11 0.08 0.00 0.00 0.00 175.76 176.02 3mmy s VAL 184 N -1.03 0.96 -0.04 0.00 1.01 -0.20 -0.28 120.40 120.83 3mmy s VAL 184 Ca 0.03 -0.43 0.03 0.00 0.00 0.00 0.00 61.98 61.60 3mmy s VAL 184 Cb -0.09 -0.86 0.00 0.00 0.00 0.00 0.00 36.38 35.44 3mmy s VAL 184 CO 0.02 0.30 -0.12 -0.69 0.00 0.00 0.00 175.10 174.61 3mmy s VAL 185 N 0.31 1.02 -0.05 2.92 1.01 0.22 -1.20 120.40 124.63 3mmy s VAL 185 Ca -0.06 -0.48 0.03 0.00 0.00 0.00 0.00 61.98 61.47 3mmy s VAL 185 Cb -0.11 -0.90 -0.03 0.00 0.00 0.00 0.00 36.38 35.34 3mmy s VAL 185 CO 0.01 0.31 -0.13 0.00 0.00 0.00 0.00 175.10 175.30 3mmy s ALA 186 N 0.24 2.72 0.41 5.51 0.00 -0.06 -0.95 121.76 129.64 3mmy s ALA 186 Ca -0.05 -0.97 0.04 0.00 0.00 0.00 0.00 51.96 50.98 3mmy s ALA 186 Cb -0.11 -1.01 -0.04 0.00 0.00 0.00 0.00 23.12 21.96 3mmy s ALA 186 CO 0.01 0.56 0.06 0.95 0.00 0.00 0.00 175.76 177.34 3mmy s THR 187 N -0.75 1.10 0.98 0.00 -4.23 -0.10 -0.94 115.64 111.71 3mmy s THR 187 Ca 0.12 -2.00 -0.11 0.00 -1.18 0.00 0.00 61.69 58.52 3mmy s THR 187 Cb -0.11 -2.51 0.16 0.00 1.34 0.00 0.00 72.50 71.38 3mmy s THR 187 CO 0.01 0.00 0.99 0.00 -0.54 0.00 0.00 174.62 175.08 3mmy n ALA 188 N -0.95 -1.58 -2.89 3.99 0.00 -0.13 -3.02 120.51 115.93 3mmy n ALA 188 Ca -0.08 -0.72 -0.20 0.00 0.00 0.00 0.00 53.44 52.44 3mmy n ALA 188 Cb 0.66 -2.09 0.01 0.00 0.00 0.00 0.00 19.45 18.03 3mmy n ALA 188 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 3mmy n GLU 189 N -4.02 -3.32 -2.52 0.00 1.02 -1.26 -2.97 120.64 107.57 3mmy n GLU 189 Ca 0.09 0.71 -0.20 0.00 -0.02 0.00 0.00 57.16 57.74 3mmy n GLU 189 Cb 0.53 -5.43 0.00 0.00 -0.02 0.00 0.00 31.44 26.52 3mmy n GLU 189 CO 0.00 0.00 0.00 0.54 1.18 0.00 0.00 177.13 178.85 3mmy n ARG 190 N -3.48 -2.34 -2.29 3.49 1.74 -1.20 -4.98 116.66 107.61 3mmy n ARG 190 Ca -0.11 0.93 -0.38 0.00 -0.77 0.00 0.00 57.85 57.52 3mmy n ARG 190 Cb 0.60 -5.56 -0.02 0.00 -1.02 0.00 0.00 32.46 26.47 3mmy n ARG 190 CO 0.00 0.00 0.00 0.20 -1.52 0.00 0.00 177.63 176.31 3mmy s GLY 191 N -2.27 2.86 -0.22 -0.13 0.00 -1.16 -4.42 107.32 101.99 3mmy s GLY 191 Ca 0.07 0.97 -0.05 0.00 0.00 0.00 0.00 44.72 45.71 3mmy s GLY 191 CO 0.09 1.48 0.40 -2.27 0.00 0.00 0.00 173.10 172.79 3mmy s LEU 192 N -2.55 -0.64 -0.02 0.66 2.96 -1.26 -0.92 118.68 116.91 3mmy s LEU 192 Ca 0.58 0.66 0.01 0.00 -0.22 0.00 0.00 54.13 55.16 3mmy s LEU 192 Cb -0.30 1.24 0.01 0.00 0.50 0.00 0.00 46.19 47.64 3mmy s LEU 192 CO 0.38 -0.26 -0.04 -0.63 -1.32 0.00 0.00 176.35 174.48 3mmy s ILE 193 N 2.58 0.38 -0.09 6.68 1.01 -0.12 -1.28 121.20 130.35 3mmy s ILE 193 Ca 0.05 -0.13 -0.01 0.00 0.00 0.00 0.00 60.65 60.56 3mmy s ILE 193 Cb -0.13 -0.37 -0.03 0.00 0.01 0.00 0.00 42.46 41.94 3mmy s ILE 193 CO -0.14 0.14 -0.04 -0.69 0.00 0.00 0.00 174.94 174.21 3mmy s VAL 194 N 0.32 3.91 0.08 2.92 1.01 -0.03 -0.61 120.40 128.00 3mmy s VAL 194 Ca -0.03 -0.39 0.09 0.00 0.00 0.00 0.00 61.98 61.65 3mmy s VAL 194 Cb -0.07 -2.64 -0.03 0.00 0.00 0.00 0.00 36.38 33.64 3mmy s VAL 194 CO -0.00 0.57 -0.23 -0.31 0.00 0.00 0.00 175.10 175.13 3mmy s TYR 195 N -0.53 2.40 0.13 5.22 1.51 0.62 -0.04 117.35 126.67 3mmy s TYR 195 Ca 0.08 -0.35 0.03 0.00 -1.01 0.00 0.00 57.07 55.83 3mmy s TYR 195 Cb -0.12 -1.36 -0.04 0.00 -0.11 0.00 0.00 41.96 40.33 3mmy s TYR 195 CO 0.02 0.25 0.20 1.14 -1.11 0.00 0.00 175.55 176.06 3mmy s GLN 196 N -1.65 3.21 0.00 -0.62 1.03 -0.23 -1.69 119.66 119.72 3mmy s GLN 196 Ca 0.14 -0.67 0.00 0.00 0.04 0.00 0.00 55.36 54.87 3mmy s GLN 196 Cb -0.10 -2.85 0.00 0.00 0.03 0.00 0.00 33.01 30.09 3mmy s GLN 196 CO 0.05 0.53 0.32 1.28 -2.54 0.00 0.00 175.29 174.93 3mmy n LEU 197 N -0.26 0.64 -4.75 2.60 4.77 -0.20 -1.51 117.00 118.28 3mmy n LEU 197 Ca -0.07 -0.71 -0.41 0.00 -0.03 0.00 0.00 56.01 54.79 3mmy n LEU 197 Cb 0.54 0.00 -0.02 0.00 -2.33 0.00 0.00 43.42 41.60 3mmy n LEU 197 CO 0.47 0.16 1.08 -1.61 -1.33 0.00 0.00 177.39 176.16 3mmy s GLU 198 N -0.15 4.28 0.00 3.23 2.02 -1.26 -3.84 118.70 122.98 3mmy s GLU 198 Ca 0.00 2.30 0.00 0.00 0.02 0.00 0.00 54.97 57.29 3mmy s GLU 198 Cb 0.00 -3.09 0.00 0.00 0.10 0.00 0.00 34.13 31.14 3mmy s GLU 198 CO 0.00 -0.38 0.00 0.09 0.02 0.00 0.00 175.26 174.99 3mmy n ASN 199 N 1.85 0.00 -3.57 -0.19 3.02 -1.26 -4.59 115.26 110.52 3mmy n ASN 199 Ca 0.05 0.00 -0.16 0.00 -0.03 0.00 0.00 54.58 54.44 3mmy n ASN 199 Cb 0.40 0.00 -0.06 0.00 -0.61 0.00 0.00 39.78 39.51 3mmy n ASN 199 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 3mmy s GLN 200 N 0.00 0.99 0.25 3.52 -2.07 -1.25 -4.94 119.66 116.17 3mmy s GLN 200 Ca 0.00 0.02 -0.31 0.00 -1.82 0.00 0.00 55.36 53.25 3mmy s GLN 200 Cb 0.00 0.46 -0.12 0.00 -1.09 0.00 0.00 33.01 32.26 3mmy s GLN 200 CO 0.00 -0.33 1.60 -2.30 -1.32 0.00 0.00 175.29 172.95 3mmy n PRO 201 N 0.79 2.59 -3.76 9.60 -0.02 -1.26 -4.55 135.00 138.39 3mmy n PRO 201 Ca -0.19 0.93 -0.12 0.00 -2.02 0.00 0.00 63.50 62.10 3mmy n PRO 201 Cb 0.58 -2.71 -0.08 0.00 -0.02 0.00 0.00 33.50 31.27 3mmy n PRO 201 CO 0.00 0.00 0.00 -1.54 1.98 0.00 0.00 175.50 175.94 3mmy s SER 202 N 0.67 -0.13 0.23 2.55 1.04 -0.57 -5.01 113.70 112.48 3mmy s SER 202 Ca 0.69 -0.14 -0.30 0.00 0.48 0.00 0.00 55.95 56.68 3mmy s SER 202 Cb -0.53 0.34 -0.10 0.00 0.10 0.00 0.00 66.02 65.83 3mmy s SER 202 CO 0.44 -0.58 1.44 -0.70 0.98 0.00 0.00 173.24 174.82 3mmy s GLU 203 N -2.28 4.27 -0.15 4.02 2.12 -1.26 -1.07 118.70 124.35 3mmy s GLU 203 Ca -0.07 2.28 -0.02 0.00 0.36 0.00 0.00 54.97 57.51 3mmy s GLU 203 Cb -0.02 -3.13 -0.09 0.00 0.26 0.00 0.00 34.13 31.16 3mmy s GLU 203 CO -0.02 -0.43 -0.16 0.34 -0.54 0.00 0.00 175.26 174.45 3mmy n PHE 204 N 2.65 0.00 -3.68 5.30 7.35 0.94 -4.76 117.46 125.26 3mmy n PHE 204 Ca 0.08 0.00 -0.11 0.00 -0.76 0.00 0.00 57.45 56.66 3mmy n PHE 204 Cb 0.40 -0.58 -0.09 0.00 0.35 0.00 0.00 39.48 39.57 3mmy n PHE 204 CO 0.00 0.00 0.00 0.50 -0.76 0.00 0.00 176.76 176.50 3mmy s ARG 205 N -2.30 0.60 -0.22 -4.13 3.52 -0.73 -5.00 118.95 110.71 3mmy s ARG 205 Ca -0.21 0.88 -0.13 0.00 -0.13 0.00 0.00 55.73 56.14 3mmy s ARG 205 Cb 0.06 0.20 -0.04 0.00 -1.56 0.00 0.00 34.95 33.61 3mmy s ARG 205 CO 0.32 -0.11 0.28 1.03 -0.81 0.00 0.00 175.30 176.00 3mmy s ARG 206 N 0.87 4.13 -0.12 5.12 0.52 -1.26 -0.85 118.95 127.36 3mmy s ARG 206 Ca -0.05 -0.03 0.00 0.00 -0.52 0.00 0.00 55.73 55.13 3mmy s ARG 206 Cb -0.05 -3.53 -0.02 0.00 0.52 0.00 0.00 34.95 31.87 3mmy s ARG 206 CO -0.07 0.04 -0.12 0.42 0.02 0.00 0.00 175.30 175.58 3mmy s ILE 207 N 1.11 3.13 -0.02 1.52 1.01 -0.40 -5.03 121.20 122.51 3mmy s ILE 207 Ca 0.13 -0.64 -0.30 0.00 0.00 0.00 0.00 60.65 59.84 3mmy s ILE 207 Cb -0.14 -2.31 -0.06 0.00 0.01 0.00 0.00 42.46 39.96 3mmy s ILE 207 CO 0.06 0.53 1.55 -0.70 0.00 0.00 0.00 174.94 176.38 3mmy s GLU 208 N 0.20 4.22 0.23 2.79 2.56 -1.26 -4.23 118.70 123.20 3mmy s GLU 208 Ca -0.07 2.11 -0.32 0.00 0.00 0.00 0.00 54.97 56.69 3mmy s GLU 208 Cb -0.15 -3.76 -0.12 0.00 2.00 0.00 0.00 34.13 32.10 3mmy s GLU 208 CO 0.05 -0.73 1.68 0.45 -0.56 0.00 0.00 175.26 176.14 3mmy n SER 209 N 6.23 3.88 0.00 -1.70 2.88 -1.26 -4.87 113.62 118.78 3mmy n SER 209 Ca 0.15 1.09 0.07 0.00 -1.33 0.00 0.00 58.87 58.85 3mmy n SER 209 Cb 0.43 -1.57 0.36 0.00 -0.75 0.00 0.00 64.21 62.68 3mmy n SER 209 CO 0.00 0.00 0.00 -0.81 -1.23 0.00 0.00 175.04 173.00 3mmy n PRO 210 N 3.44 0.18 -4.87 -1.46 -0.04 -1.26 -4.75 135.00 126.24 3mmy n PRO 210 Ca 0.14 0.16 -0.31 0.00 -0.04 0.00 0.00 63.50 63.45 3mmy n PRO 210 Cb 0.35 -1.50 -0.14 0.00 -0.04 0.00 0.00 33.50 32.17 3mmy n PRO 210 CO 0.00 0.00 0.00 -0.51 -0.04 0.00 0.00 175.50 174.95 3mmy s LEU 211 N -2.63 2.40 0.00 1.53 1.43 -1.26 -4.97 118.68 115.18 3mmy s LEU 211 Ca 0.13 -0.46 0.26 0.00 -1.03 0.00 0.00 54.13 53.04 3mmy s LEU 211 Cb 0.10 -1.42 0.68 0.00 0.03 0.00 0.00 46.19 45.57 3mmy s LEU 211 CO 0.23 0.28 1.53 0.29 0.23 0.00 0.00 176.35 178.90 3mmy n LYS 212 N 1.85 1.66 -4.47 1.70 5.02 -1.26 -4.95 118.16 117.71 3mmy n LYS 212 Ca -0.16 -1.14 -0.23 0.00 -2.02 0.00 0.00 58.31 54.75 3mmy n LYS 212 Cb 0.52 -1.48 -0.10 0.00 -0.02 0.00 0.00 35.03 33.95 3mmy n LYS 212 CO 0.00 0.00 0.00 -1.01 -0.52 0.00 0.00 177.40 175.87 3mmy s HIS 213 N -2.13 2.10 -0.02 2.13 3.76 -1.26 -5.09 115.29 114.78 3mmy s HIS 213 Ca 0.31 -0.71 -0.38 0.00 -0.15 0.00 0.00 55.06 54.13 3mmy s HIS 213 Cb 0.20 -1.27 -0.17 0.00 1.11 0.00 0.00 32.58 32.45 3mmy s HIS 213 CO 0.38 0.30 1.38 0.94 -0.85 0.00 0.00 174.74 176.88 3mmy n GLN 214 N -0.68 0.91 -2.54 1.40 7.27 -1.26 -4.72 117.38 117.76 3mmy n GLN 214 Ca -0.05 0.33 -0.38 0.00 0.07 0.00 0.00 57.00 56.98 3mmy n GLN 214 Cb 0.64 -1.95 -0.04 0.00 2.41 0.00 0.00 30.24 31.30 3mmy n GLN 214 CO 0.00 0.00 0.00 -1.01 0.07 0.00 0.00 177.06 176.12 3mmy s HIS 215 N 1.04 3.42 0.00 3.69 3.76 -1.26 -1.65 115.29 124.28 3mmy s HIS 215 Ca 0.89 1.68 0.00 0.00 -0.15 0.00 0.00 55.06 57.48 3mmy s HIS 215 Cb -1.05 -3.16 0.00 0.00 1.11 0.00 0.00 32.58 29.48 3mmy s HIS 215 CO 0.53 -0.51 0.00 -2.13 -0.85 0.00 0.00 174.74 171.79 3mmy n ARG 216 N 0.42 0.00 -3.77 1.40 0.63 0.36 -4.86 116.66 110.84 3mmy n ARG 216 Ca 0.03 0.00 -0.11 0.00 -0.92 0.00 0.00 57.85 56.85 3mmy n ARG 216 Cb 0.48 -0.69 -0.07 0.00 0.45 0.00 0.00 32.46 32.63 3mmy n ARG 216 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 3mmy s VAL 218 N -2.82 0.02 -0.06 0.00 0.11 -1.26 -0.78 120.40 115.61 3mmy s VAL 218 Ca -0.03 -0.14 -0.03 0.00 -2.93 0.00 0.00 61.98 58.85 3mmy s VAL 218 Cb 0.00 -0.67 0.03 0.00 -1.53 0.00 0.00 36.38 34.21 3mmy s VAL 218 CO -0.05 -0.08 0.13 0.00 -3.33 0.00 0.00 175.10 171.78 3mmy s ALA 219 N -0.39 -0.28 0.22 1.54 0.00 -0.49 -4.58 121.76 117.79 3mmy s ALA 219 Ca -0.05 0.51 -0.23 0.00 0.00 0.00 0.00 51.96 52.18 3mmy s ALA 219 Cb -0.03 -0.33 -0.08 0.00 0.00 0.00 0.00 23.12 22.68 3mmy s ALA 219 CO 0.03 -0.11 0.79 0.42 0.00 0.00 0.00 175.76 176.89 3mmy s ILE 220 N 0.62 4.41 0.29 0.00 1.01 -1.26 -0.35 121.20 125.93 3mmy s ILE 220 Ca -0.05 1.56 0.09 0.00 0.00 0.00 0.00 60.65 62.25 3mmy s ILE 220 Cb -0.06 -4.00 -0.06 0.00 0.01 0.00 0.00 42.46 38.35 3mmy s ILE 220 CO -0.03 0.32 -0.11 0.72 0.00 0.00 0.00 174.94 175.85 3mmy s PHE 221 N -1.39 2.15 0.22 3.97 -0.12 -0.46 -4.86 117.98 117.49 3mmy s PHE 221 Ca 0.41 -0.54 0.09 0.00 -0.05 0.00 0.00 56.93 56.85 3mmy s PHE 221 Cb -0.20 -1.15 -0.04 0.00 -0.63 0.00 0.00 43.02 41.00 3mmy s PHE 221 CO 0.24 0.48 -0.08 0.15 -0.05 0.00 0.00 175.22 175.96 3mmy s LYS 222 N -3.63 2.09 0.33 1.99 1.02 -1.26 -1.12 119.74 119.15 3mmy s LYS 222 Ca 0.30 -1.37 -0.04 0.00 0.02 0.00 0.00 55.97 54.88 3mmy s LYS 222 Cb 0.01 -2.12 0.07 0.00 -0.52 0.00 0.00 37.83 35.28 3mmy s LYS 222 CO 0.14 0.40 0.45 -0.40 -0.92 0.00 0.00 175.35 175.01 3mmy n ASP 223 N -0.32 0.24 0.27 2.83 5.68 0.47 -4.83 116.55 120.88 3mmy n ASP 223 Ca -0.09 -1.29 0.12 0.00 -0.50 0.00 0.00 54.79 53.04 3mmy n ASP 223 Cb 0.57 -0.32 0.76 0.00 -1.14 0.00 0.00 41.12 40.98 3mmy n ASP 223 CO 0.00 0.00 0.00 0.50 -1.33 0.00 0.00 177.20 176.37 3mmy h LYS 224 N 0.00 0.00 -0.28 0.11 3.64 -2.01 -0.89 116.57 117.13 3mmy h LYS 224 Ca -0.15 0.00 0.00 0.00 -1.27 0.00 0.00 60.65 59.23 3mmy h LYS 224 Cb 0.45 0.00 0.00 0.00 -0.41 0.00 0.00 32.23 32.27 3mmy h LYS 224 CO 0.12 0.07 0.00 1.04 -2.27 0.00 0.00 179.45 178.42 3mmy n GLN 225 N -3.90 1.77 -1.54 1.90 3.00 -1.26 -4.92 117.38 112.43 3mmy n GLN 225 Ca -0.02 -1.18 -0.10 0.00 -0.01 0.00 0.00 57.00 55.69 3mmy n GLN 225 Cb 0.17 -1.31 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 3mmy n GLN 225 CO 0.00 0.00 0.00 -1.71 0.00 0.00 0.00 177.06 175.35 3mmy n ASN 226 N 0.43 -3.90 -4.77 1.08 5.15 -0.34 -5.03 115.26 107.88 3mmy n ASN 226 Ca 0.13 0.17 -0.35 0.00 -0.60 0.00 0.00 54.58 53.93 3mmy n ASN 226 Cb 0.30 -2.51 -0.08 0.00 -0.53 0.00 0.00 39.78 36.96 3mmy n ASN 226 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 3mmy s LYS 227 N -3.29 3.16 0.24 1.20 1.02 -1.26 -4.82 119.74 115.98 3mmy s LYS 227 Ca 0.00 -0.33 -0.31 0.00 0.02 0.00 0.00 55.97 55.35 3mmy s LYS 227 Cb 0.00 -2.94 -0.12 0.00 -0.52 0.00 0.00 37.83 34.24 3mmy s LYS 227 CO 0.00 0.72 1.60 -0.35 -0.92 0.00 0.00 175.35 176.40 3mmy n PRO 228 N 1.88 2.54 0.00 -1.68 -0.04 -1.26 -0.40 135.00 136.04 3mmy n PRO 228 Ca -0.18 0.91 0.00 0.00 -0.04 0.00 0.00 63.50 64.19 3mmy n PRO 228 Cb 0.54 -2.69 0.00 0.00 -0.04 0.00 0.00 33.50 31.31 3mmy n PRO 228 CO 0.00 0.00 0.00 -2.37 -0.04 0.00 0.00 175.50 173.09 3mmy n THR 229 N 2.86 0.00 -4.03 0.52 5.66 -0.27 -4.83 114.28 114.20 3mmy n THR 229 Ca 0.13 -0.02 0.03 0.00 -3.05 0.00 0.00 64.05 61.14 3mmy n THR 229 Cb 0.34 1.07 0.01 0.00 -1.55 0.00 0.00 70.33 70.20 3mmy n THR 229 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 3mmy n GLY 230 N 0.03 0.19 3.32 1.09 0.00 -1.18 -0.99 105.19 107.65 3mmy n GLY 230 Ca 0.00 -0.95 -0.11 0.00 0.00 0.00 0.00 46.02 44.97 3mmy n GLY 230 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3mmy s PHE 231 N -2.04 -0.21 0.01 1.61 -0.12 -0.02 -1.36 117.98 115.86 3mmy s PHE 231 Ca 0.22 -0.09 0.01 0.00 -0.05 0.00 0.00 56.93 57.02 3mmy s PHE 231 Cb -0.00 0.25 -0.04 0.00 -0.63 0.00 0.00 43.02 42.61 3mmy s PHE 231 CO -0.02 -0.69 0.02 0.00 -0.05 0.00 0.00 175.22 174.48 3mmy s ALA 232 N -3.71 3.37 -0.03 1.99 0.00 0.52 -1.12 121.76 122.79 3mmy s ALA 232 Ca 0.02 -0.94 0.00 0.00 0.00 0.00 0.00 51.96 51.04 3mmy s ALA 232 Cb 0.02 -1.39 0.03 0.00 0.00 0.00 0.00 23.12 21.77 3mmy s ALA 232 CO -0.11 0.67 0.02 -1.17 0.00 0.00 0.00 175.76 175.16 3mmy s LEU 233 N -1.69 1.08 0.04 0.00 2.96 -0.27 -1.40 118.68 119.40 3mmy s LEU 233 Ca 0.21 0.00 0.05 0.00 -0.22 0.00 0.00 54.13 54.18 3mmy s LEU 233 Cb -0.12 -0.16 -0.04 0.00 0.50 0.00 0.00 46.19 46.38 3mmy s LEU 233 CO 0.12 -0.12 -0.09 -0.83 -1.32 0.00 0.00 176.35 174.11 3mmy s GLY 234 N 1.10 1.74 0.50 7.98 0.00 0.04 -0.76 107.32 117.92 3mmy s GLY 234 Ca -0.09 -1.12 0.01 0.00 0.00 0.00 0.00 44.72 43.53 3mmy s GLY 234 CO -0.02 -1.02 0.10 -1.14 0.00 0.00 0.00 173.10 171.01 3mmy n SER 235 N 1.27 3.21 0.00 1.64 3.41 -0.96 -0.48 113.62 121.71 3mmy n SER 235 Ca -0.15 -3.09 0.11 0.00 -0.26 0.00 0.00 58.87 55.48 3mmy n SER 235 Cb 0.52 0.25 0.56 0.00 -0.26 0.00 0.00 64.21 65.29 3mmy n SER 235 CO 0.00 0.00 0.00 2.30 -0.16 0.00 0.00 175.04 177.18 3mmy n ILE 236 N -1.36 0.26 -1.52 -1.33 -5.35 -0.66 -1.74 119.36 107.66 3mmy n ILE 236 Ca -0.16 0.07 -0.23 0.00 -0.27 0.00 0.00 62.75 62.16 3mmy n ILE 236 Cb 0.62 -0.72 0.11 0.00 -1.74 0.00 0.00 39.64 37.92 3mmy n ILE 236 CO 0.00 0.00 0.00 1.21 -1.76 0.00 0.00 176.55 176.00 3mmy n GLU 237 N -1.22 2.62 -3.85 6.28 0.00 -1.26 -3.07 120.64 120.15 3mmy n GLU 237 Ca 0.12 -3.44 -0.25 0.00 0.00 0.00 0.00 57.16 53.58 3mmy n GLU 237 Cb 0.15 -2.14 0.01 0.00 0.00 0.00 0.00 31.44 29.45 3mmy n GLU 237 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 3mmy n GLY 238 N -0.96 -0.31 3.26 8.31 0.00 0.02 -4.86 105.19 110.65 3mmy n GLY 238 Ca 0.50 0.14 -0.13 0.00 0.00 0.00 0.00 46.02 46.53 3mmy n GLY 238 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 3mmy s ARG 239 N -6.32 0.56 -0.02 1.61 3.52 -1.26 -1.47 118.95 115.58 3mmy s ARG 239 Ca 0.15 0.18 0.05 0.00 -0.13 0.00 0.00 55.73 55.98 3mmy s ARG 239 Cb -0.08 0.26 -0.01 0.00 -1.56 0.00 0.00 34.95 33.56 3mmy s ARG 239 CO 0.85 -0.12 -0.16 0.08 -0.81 0.00 0.00 175.30 175.13 3mmy s VAL 240 N -0.56 1.28 -0.15 7.11 1.01 -0.36 -2.25 120.40 126.47 3mmy s VAL 240 Ca -0.07 -0.68 -0.06 0.00 0.00 0.00 0.00 61.98 61.17 3mmy s VAL 240 Cb -0.04 -1.07 -0.04 0.00 0.00 0.00 0.00 36.38 35.24 3mmy s VAL 240 CO 0.03 0.36 0.06 0.00 0.00 0.00 0.00 175.10 175.55 3mmy s ALA 241 N -0.32 3.45 -0.25 5.51 0.00 0.06 -0.84 121.76 129.37 3mmy s ALA 241 Ca 0.05 -0.74 -0.11 0.00 0.00 0.00 0.00 51.96 51.16 3mmy s ALA 241 Cb -0.07 -1.83 -0.05 0.00 0.00 0.00 0.00 23.12 21.17 3mmy s ALA 241 CO -0.00 0.34 0.17 0.42 0.00 0.00 0.00 175.76 176.68 3mmy s ILE 242 N -0.13 5.32 -0.16 0.00 -1.09 0.65 -1.12 121.20 124.68 3mmy s ILE 242 Ca 0.07 0.17 -0.02 0.00 -2.23 0.00 0.00 60.65 58.64 3mmy s ILE 242 Cb -0.12 -3.50 0.05 0.00 -1.58 0.00 0.00 42.46 37.31 3mmy s ILE 242 CO 0.01 0.31 0.01 -2.28 -1.23 0.00 0.00 174.94 171.76 3mmy s HIS 243 N 1.32 1.05 0.19 3.97 2.46 -0.27 -1.92 115.29 122.09 3mmy s HIS 243 Ca 0.07 -0.72 -0.18 0.00 0.47 0.00 0.00 55.06 54.71 3mmy s HIS 243 Cb -0.14 -1.02 -0.08 0.00 -0.13 0.00 0.00 32.58 31.21 3mmy s HIS 243 CO 0.07 -0.54 0.66 0.71 -2.47 0.00 0.00 174.74 173.17 3mmy s TYR 244 N 1.85 3.63 0.04 3.88 1.51 -1.26 -0.84 117.35 126.15 3mmy s TYR 244 Ca 0.01 1.26 -0.19 0.00 -1.01 0.00 0.00 57.07 57.14 3mmy s TYR 244 Cb -0.15 -2.52 -0.16 0.00 -0.11 0.00 0.00 41.96 39.01 3mmy s TYR 244 CO -0.07 0.37 1.26 0.82 -1.11 0.00 0.00 175.55 176.82 3mmy h ILE 245 N 2.76 1.37 -2.01 2.71 1.08 -1.43 -3.40 117.51 118.59 3mmy h ILE 245 Ca -0.48 -1.64 -0.52 0.00 -0.39 0.00 0.00 64.86 61.83 3mmy h ILE 245 Cb 1.19 2.09 -0.40 0.00 -3.07 0.00 0.00 36.82 36.64 3mmy h ILE 245 CO 0.65 0.49 -1.13 0.59 -0.69 0.00 0.00 178.15 178.06 3mmy n ASN 246 N -4.37 0.75 -4.85 1.72 3.02 -1.26 -5.11 115.26 105.16 3mmy n ASN 246 Ca -0.07 -2.91 -0.32 0.00 -0.03 0.00 0.00 54.58 51.25 3mmy n ASN 246 Cb 0.50 -0.63 -0.03 0.00 -0.61 0.00 0.00 39.78 39.02 3mmy n ASN 246 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 3mmy s PRO 247 N -1.96 3.87 0.57 3.52 0.04 -1.26 -4.96 135.00 134.81 3mmy s PRO 247 Ca 0.38 0.87 0.33 0.00 0.04 0.00 0.00 61.00 62.62 3mmy s PRO 247 Cb 0.27 -2.15 1.71 0.00 0.04 0.00 0.00 34.50 34.37 3mmy s PRO 247 CO -0.09 -0.30 2.15 -1.00 0.04 0.00 0.00 177.00 177.79 3mmy h PRO 248 N 0.72 0.00 -1.93 0.56 0.13 -2.00 -3.37 132.00 126.10 3mmy h PRO 248 Ca -0.46 0.00 -0.45 0.00 -0.87 0.00 0.00 66.00 64.22 3mmy h PRO 248 Cb 1.19 0.00 -0.31 0.00 0.13 0.00 0.00 31.00 32.01 3mmy h PRO 248 CO 0.62 0.06 -0.83 -1.71 -0.23 0.00 0.00 178.00 175.91 3mmy n ASN 249 N -3.41 -1.44 -0.34 1.44 2.85 -1.26 -5.03 115.26 108.08 3mmy n ASN 249 Ca -0.02 -2.55 0.08 0.00 -0.11 0.00 0.00 54.58 51.99 3mmy n ASN 249 Cb 0.20 0.18 0.27 0.00 1.24 0.00 0.00 39.78 41.67 3mmy n ASN 249 CO 0.00 0.00 0.00 -0.65 -2.11 0.00 0.00 177.26 174.50 3mmy h PRO 250 N 5.42 0.90 0.00 1.20 0.11 -1.97 0.21 132.00 137.88 3mmy h PRO 250 Ca 0.20 -0.05 -0.05 0.00 0.11 0.00 0.00 66.00 66.21 3mmy h PRO 250 Cb 0.97 -0.20 -0.01 0.00 0.11 0.00 0.00 31.00 31.87 3mmy h PRO 250 CO 0.26 0.60 -0.22 0.00 -0.21 0.00 0.00 178.00 178.42 3mmy h ALA 251 N 1.55 1.46 0.00 -0.75 0.00 -1.96 -1.51 119.26 118.05 3mmy h ALA 251 Ca 0.48 -0.20 -0.36 0.00 0.00 0.00 0.00 54.91 54.83 3mmy h ALA 251 Cb 0.52 -0.04 -0.07 0.00 0.00 0.00 0.00 17.79 18.21 3mmy h ALA 251 CO -0.25 0.28 -2.34 0.36 0.00 0.00 0.00 179.25 177.30 3mmy n LYS 252 N -4.02 0.77 0.09 0.00 2.85 -0.65 -4.61 118.16 112.59 3mmy n LYS 252 Ca -0.02 0.06 -0.07 0.00 -1.05 0.00 0.00 58.31 57.23 3mmy n LYS 252 Cb 0.30 -1.49 0.03 0.00 -0.65 0.00 0.00 35.03 33.22 3mmy n LYS 252 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 177.40 176.91 3mmy h ASP 253 N 0.00 0.18 -3.26 -5.58 3.32 -0.56 -3.42 116.42 107.10 3mmy h ASP 253 Ca -0.53 -0.14 -0.58 0.00 0.02 0.00 0.00 57.03 55.80 3mmy h ASP 253 Cb 2.02 -0.06 -0.06 0.00 0.22 0.00 0.00 39.33 41.45 3mmy h ASP 253 CO -0.02 0.91 -0.10 0.20 -1.72 0.00 0.00 179.24 178.50 3mmy s ASN 254 N -6.88 6.82 0.16 6.45 0.01 -0.57 -4.79 114.94 116.13 3mmy s ASN 254 Ca -0.02 0.97 -0.17 0.00 -0.71 0.00 0.00 52.86 52.93 3mmy s ASN 254 Cb 0.11 -2.31 0.03 0.00 0.41 0.00 0.00 41.25 39.49 3mmy s ASN 254 CO 0.81 0.10 0.46 0.72 -1.51 0.00 0.00 177.10 177.68 3mmy s PHE 255 N 0.00 -0.16 0.33 2.20 -0.12 -0.81 -4.80 117.98 114.62 3mmy s PHE 255 Ca 0.27 -0.16 0.09 0.00 -0.05 0.00 0.00 56.93 57.09 3mmy s PHE 255 Cb -0.17 0.32 -0.05 0.00 -0.63 0.00 0.00 43.02 42.49 3mmy s PHE 255 CO 0.13 -0.80 -0.01 0.95 -0.05 0.00 0.00 175.22 175.45 3mmy s THR 256 N -3.84 2.66 -0.02 -4.49 -4.23 -1.26 -0.25 115.64 104.22 3mmy s THR 256 Ca 0.06 -2.01 -0.09 0.00 -1.18 0.00 0.00 61.69 58.47 3mmy s THR 256 Cb 0.01 -2.76 0.01 0.00 1.34 0.00 0.00 72.50 71.10 3mmy s THR 256 CO -0.08 -0.23 0.20 0.72 -0.54 0.00 0.00 174.62 174.69 3mmy s PHE 257 N -2.51 -0.07 0.26 3.99 -0.71 -0.02 -4.98 117.98 113.95 3mmy s PHE 257 Ca 0.34 0.09 -0.15 0.00 -1.04 0.00 0.00 56.93 56.17 3mmy s PHE 257 Cb -0.01 0.01 -0.08 0.00 -1.21 0.00 0.00 43.02 41.73 3mmy s PHE 257 CO 0.19 -0.29 0.68 0.15 -1.34 0.00 0.00 175.22 174.60 3mmy s LYS 258 N -1.13 4.03 0.27 1.99 1.02 -1.26 -1.22 119.74 123.43 3mmy s LYS 258 Ca -0.12 0.63 -0.21 0.00 0.02 0.00 0.00 55.97 56.28 3mmy s LYS 258 Cb -0.06 -2.65 0.02 0.00 -0.52 0.00 0.00 37.83 34.62 3mmy s LYS 258 CO 0.02 0.29 0.73 0.00 -0.92 0.00 0.00 175.35 175.47 3mmy n HIS 260 N -0.46 -2.06 -4.39 0.00 8.25 -1.26 -4.28 115.22 111.02 3mmy n HIS 260 Ca -0.04 0.86 -0.26 0.00 -0.26 0.00 0.00 57.72 58.02 3mmy n HIS 260 Cb 0.59 -4.21 -0.12 0.00 1.12 0.00 0.00 29.99 27.37 3mmy n HIS 260 CO 0.00 0.00 0.00 1.03 0.64 0.00 0.00 176.34 178.01 3mmy s ARG 261 N -6.26 1.42 -0.14 -0.41 0.52 -1.26 -1.74 118.95 111.09 3mmy s ARG 261 Ca 0.26 -1.46 0.02 0.00 -0.52 0.00 0.00 55.73 54.03 3mmy s ARG 261 Cb -0.13 -1.69 0.01 0.00 0.52 0.00 0.00 34.95 33.66 3mmy s ARG 261 CO 0.82 0.37 -0.21 -1.12 0.02 0.00 0.00 175.30 175.18 3mmy s SER 262 N -2.58 2.99 0.00 0.23 0.01 -0.25 -4.97 113.70 109.12 3mmy s SER 262 Ca 0.18 -0.57 0.00 0.00 1.31 0.00 0.00 55.95 56.87 3mmy s SER 262 Cb -0.08 -1.38 0.00 0.00 0.21 0.00 0.00 66.02 64.77 3mmy s SER 262 CO 0.08 0.06 0.00 0.59 0.41 0.00 0.00 173.24 174.39 3mmy n ASN 263 N 4.12 0.00 0.00 2.44 4.13 -1.26 -0.95 115.26 123.74 3mmy n ASN 263 Ca -0.20 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.06 3mmy n ASN 263 Cb 0.51 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.75 3mmy n ASN 263 CO 0.00 0.00 0.00 -1.54 0.28 0.00 0.00 177.26 176.00 3mmy n SER 268 N 0.00 0.00 -4.86 6.41 3.41 -1.26 -5.03 113.62 112.29 3mmy n SER 268 Ca 0.00 0.00 -0.31 0.00 -0.26 0.00 0.00 58.87 58.30 3mmy n SER 268 Cb 0.00 0.00 -0.04 0.00 -0.26 0.00 0.00 64.21 63.91 3mmy n SER 268 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mmy s ALA 269 N -1.00 3.27 0.55 7.33 0.00 -1.26 -5.04 121.76 125.61 3mmy s ALA 269 Ca 0.00 -0.06 -0.20 0.00 0.00 0.00 0.00 51.96 51.71 3mmy s ALA 269 Cb 0.00 -2.82 -0.05 0.00 0.00 0.00 0.00 23.12 20.24 3mmy s ALA 269 CO 0.00 -0.01 1.18 -2.14 0.00 0.00 0.00 175.76 174.79 3mmy s PRO 270 N -3.75 3.25 -0.08 0.00 0.02 -1.26 -5.00 135.00 128.19 3mmy s PRO 270 Ca 0.54 1.75 -0.27 0.00 0.02 0.00 0.00 61.00 63.03 3mmy s PRO 270 Cb -0.10 -2.04 -0.02 0.00 0.02 0.00 0.00 34.50 32.36 3mmy s PRO 270 CO 0.29 -0.96 0.89 -1.14 -0.33 0.00 0.00 177.00 175.74 3mmy s GLN 271 N -3.21 4.44 -0.05 5.54 0.74 -1.26 -4.90 119.66 120.96 3mmy s GLN 271 Ca 0.73 1.20 -0.26 0.00 0.05 0.00 0.00 55.36 57.09 3mmy s GLN 271 Cb -0.28 -3.50 -0.03 0.00 1.10 0.00 0.00 33.01 30.30 3mmy s GLN 271 CO 0.31 -0.15 0.81 -0.51 -0.55 0.00 0.00 175.29 175.20 3mmy s ASP 272 N 1.01 7.11 -0.17 6.67 1.01 -0.13 -4.91 116.67 127.26 3mmy s ASP 272 Ca 0.45 1.34 -0.06 0.00 0.71 0.00 0.00 52.55 55.00 3mmy s ASP 272 Cb -0.19 -2.47 -0.03 0.00 1.01 0.00 0.00 42.92 41.24 3mmy s ASP 272 CO 0.20 -0.19 0.02 -0.63 0.21 0.00 0.00 175.17 174.77 3mmy s ILE 273 N 1.00 4.37 0.27 0.77 1.01 -1.26 -1.09 121.20 126.26 3mmy s ILE 273 Ca 0.42 -0.19 0.11 0.00 0.00 0.00 0.00 60.65 61.00 3mmy s ILE 273 Cb -0.19 -2.94 -0.05 0.00 0.01 0.00 0.00 42.46 39.29 3mmy s ILE 273 CO 0.21 0.48 -0.18 -0.31 0.00 0.00 0.00 174.94 175.13 3mmy s TYR 274 N 0.37 2.18 0.42 3.97 1.51 -0.71 -4.88 117.35 120.20 3mmy s TYR 274 Ca -0.00 -0.40 -0.24 0.00 -1.01 0.00 0.00 57.07 55.42 3mmy s TYR 274 Cb -0.13 -0.98 -0.08 0.00 -0.11 0.00 0.00 41.96 40.65 3mmy s TYR 274 CO 0.01 0.63 1.15 0.00 -1.11 0.00 0.00 175.55 176.24 3mmy s ALA 275 N -2.61 3.08 -0.36 3.71 0.00 -1.18 -0.80 121.76 123.60 3mmy s ALA 275 Ca 0.29 0.92 -0.22 0.00 0.00 0.00 0.00 51.96 52.95 3mmy s ALA 275 Cb -0.03 -3.37 0.00 0.00 0.00 0.00 0.00 23.12 19.72 3mmy s ALA 275 CO 0.14 -0.53 0.70 0.08 0.00 0.00 0.00 175.76 176.14 3mmy s VAL 276 N -1.49 4.83 -0.11 0.00 1.01 -0.71 -0.79 120.40 123.12 3mmy s VAL 276 Ca 0.59 0.73 0.16 0.00 0.00 0.00 0.00 61.98 63.47 3mmy s VAL 276 Cb -0.29 -4.13 -0.21 0.00 0.00 0.00 0.00 36.38 31.75 3mmy s VAL 276 CO 0.36 -0.35 0.52 0.59 0.00 0.00 0.00 175.10 176.22 3mmy n ASN 277 N 6.19 0.53 -3.70 3.32 3.02 0.16 -4.48 115.26 120.30 3mmy n ASN 277 Ca 0.01 0.24 -0.12 0.00 -0.03 0.00 0.00 54.58 54.68 3mmy n ASN 277 Cb 0.48 0.51 -0.07 0.00 -0.61 0.00 0.00 39.78 40.10 3mmy n ASN 277 CO 0.00 0.00 0.00 -0.83 -2.62 0.00 0.00 177.26 173.81 3mmy s GLY 278 N -5.07 -0.22 -0.12 7.41 0.00 -1.08 -4.76 107.32 103.50 3mmy s GLY 278 Ca -0.06 0.21 -0.07 0.00 0.00 0.00 0.00 44.72 44.80 3mmy s GLY 278 CO 0.83 -0.03 0.28 -0.42 0.00 0.00 0.00 173.10 173.76 3mmy s ILE 279 N -2.46 -0.03 -0.06 0.90 1.01 -1.26 -1.62 121.20 117.68 3mmy s ILE 279 Ca -0.05 0.10 -0.09 0.00 0.00 0.00 0.00 60.65 60.60 3mmy s ILE 279 Cb -0.01 -0.42 0.02 0.00 0.01 0.00 0.00 42.46 42.06 3mmy s ILE 279 CO -0.02 0.04 0.23 0.00 0.00 0.00 0.00 174.94 175.19 3mmy s ALA 280 N 0.96 -0.57 0.01 9.38 0.00 -0.47 -4.69 121.76 126.37 3mmy s ALA 280 Ca -0.07 0.49 -0.10 0.00 0.00 0.00 0.00 51.96 52.28 3mmy s ALA 280 Cb -0.08 -0.25 -0.05 0.00 0.00 0.00 0.00 23.12 22.75 3mmy s ALA 280 CO -0.07 -0.15 0.34 -0.06 0.00 0.00 0.00 175.76 175.82 3mmy s PHE 281 N -0.33 3.63 0.01 0.00 0.40 -1.26 -0.58 117.98 119.85 3mmy s PHE 281 Ca -0.04 0.77 -0.30 0.00 -0.60 0.00 0.00 56.93 56.75 3mmy s PHE 281 Cb -0.03 -2.13 -0.05 0.00 0.51 0.00 0.00 43.02 41.31 3mmy s PHE 281 CO 0.01 0.61 1.36 -1.58 0.70 0.00 0.00 175.22 176.32 3mmy s HIS 282 N -1.23 2.98 -0.39 0.36 5.65 0.45 -4.88 115.29 118.22 3mmy s HIS 282 Ca 0.27 0.92 0.23 0.00 0.25 0.00 0.00 55.06 56.72 3mmy s HIS 282 Cb -0.14 -3.62 1.04 0.00 -1.18 0.00 0.00 32.58 28.68 3mmy s HIS 282 CO 0.14 -2.21 1.70 -0.35 -0.65 0.00 0.00 174.74 173.38 3mmy n PRO 283 N 5.10 0.18 -0.11 2.88 -0.04 -1.26 -1.84 135.00 139.91 3mmy n PRO 283 Ca 0.12 0.49 -0.23 0.00 -0.04 0.00 0.00 63.50 63.84 3mmy n PRO 283 Cb 0.44 -1.90 -0.08 0.00 -0.04 0.00 0.00 33.50 31.91 3mmy n PRO 283 CO 0.00 0.00 0.00 0.28 -0.04 0.00 0.00 175.50 175.74 3mmy n VAL 284 N -2.26 1.24 0.14 0.52 0.31 -1.26 -4.78 118.33 112.24 3mmy n VAL 284 Ca 0.01 -0.34 0.09 0.00 -0.01 0.00 0.00 64.34 64.09 3mmy n VAL 284 Cb 0.18 -1.72 0.05 0.00 -0.91 0.00 0.00 33.84 31.44 3mmy n VAL 284 CO 0.00 0.00 0.00 0.45 -1.32 0.00 0.00 176.83 175.96 3mmy h HIS 285 N -0.68 0.00 0.00 3.52 3.86 -1.89 -3.47 115.15 116.50 3mmy h HIS 285 Ca -0.56 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 58.65 3mmy h HIS 285 Cb 1.54 0.00 0.00 0.00 1.06 0.00 0.00 27.41 30.01 3mmy h HIS 285 CO -0.06 0.14 0.00 0.41 0.86 0.00 0.00 177.93 179.28 3mmy n GLY 286 N 1.19 0.58 3.89 2.45 0.00 -0.77 -4.97 105.19 107.56 3mmy n GLY 286 Ca 0.00 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.73 3mmy n GLY 286 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 3mmy s THR 287 N -2.47 1.98 0.04 2.61 -4.23 -1.26 -4.76 115.64 107.54 3mmy s THR 287 Ca 0.00 0.00 0.01 0.00 -1.18 0.00 0.00 61.69 60.52 3mmy s THR 287 Cb 0.00 -2.95 -0.02 0.00 1.34 0.00 0.00 72.50 70.87 3mmy s THR 287 CO 0.00 0.00 -0.05 -1.48 -0.54 0.00 0.00 174.62 172.55 3mmy s LEU 288 N -5.83 2.28 -0.04 4.79 2.34 -0.47 -0.41 118.68 121.34 3mmy s LEU 288 Ca 0.68 -0.59 -0.01 0.00 0.06 0.00 0.00 54.13 54.27 3mmy s LEU 288 Cb -0.08 -0.01 -0.04 0.00 -0.56 0.00 0.00 46.19 45.50 3mmy s LEU 288 CO 0.51 -0.30 0.03 0.00 -1.06 0.00 0.00 176.35 175.54 3mmy s ALA 289 N -1.76 3.38 0.10 1.48 0.00 0.25 -0.16 121.76 125.05 3mmy s ALA 289 Ca -0.10 -0.86 0.09 0.00 0.00 0.00 0.00 51.96 51.09 3mmy s ALA 289 Cb -0.08 -1.48 -0.04 0.00 0.00 0.00 0.00 23.12 21.53 3mmy s ALA 289 CO -0.01 0.63 -0.23 0.95 0.00 0.00 0.00 175.76 177.10 3mmy s THR 290 N -1.03 1.91 0.05 0.00 -4.23 -0.05 -1.37 115.64 110.93 3mmy s THR 290 Ca 0.18 -1.57 0.05 0.00 -1.18 0.00 0.00 61.69 59.17 3mmy s THR 290 Cb -0.12 -1.71 -0.02 0.00 1.34 0.00 0.00 72.50 71.99 3mmy s THR 290 CO 0.08 0.04 -0.15 0.68 -0.54 0.00 0.00 174.62 174.73 3mmy s VAL 291 N -1.07 1.19 0.14 2.29 -7.23 -0.64 -1.42 120.40 113.67 3mmy s VAL 291 Ca 0.09 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 59.14 3mmy s VAL 291 Cb -0.10 -1.09 -0.04 0.00 0.56 0.00 0.00 36.38 35.71 3mmy s VAL 291 CO 0.04 -0.04 0.03 -0.83 -0.31 0.00 0.00 175.10 173.99 3mmy s GLY 292 N -1.34 1.06 0.14 2.32 0.00 -0.99 -0.67 107.32 107.85 3mmy s GLY 292 Ca 0.01 -1.51 0.16 0.00 0.00 0.00 0.00 44.72 43.38 3mmy s GLY 292 CO 0.02 -1.43 1.48 -1.26 0.00 0.00 0.00 173.10 171.91 3mmy n SER 293 N -0.15 0.31 0.00 1.64 2.88 0.03 -1.32 113.62 117.00 3mmy n SER 293 Ca -0.06 0.60 0.12 0.00 -1.33 0.00 0.00 58.87 58.20 3mmy n SER 293 Cb 0.63 -0.66 0.63 0.00 -0.75 0.00 0.00 64.21 64.07 3mmy n SER 293 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 3mmy n ASP 294 N -1.87 0.00 -0.96 -3.46 5.75 -1.26 -4.37 116.55 110.38 3mmy n ASP 294 Ca 0.01 -0.12 -0.07 0.00 -0.01 0.00 0.00 54.79 54.60 3mmy n ASP 294 Cb 0.13 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 39.95 3mmy n ASP 294 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3mmy n GLY 295 N 0.80 0.14 3.23 6.12 0.00 -0.44 -4.66 105.19 110.38 3mmy n GLY 295 Ca 0.12 -0.54 -0.21 0.00 0.00 0.00 0.00 46.02 45.39 3mmy n GLY 295 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 3mmy s ARG 296 N -4.55 0.97 0.01 1.61 0.52 -1.26 -0.08 118.95 116.17 3mmy s ARG 296 Ca 0.04 -1.07 0.01 0.00 -0.52 0.00 0.00 55.73 54.18 3mmy s ARG 296 Cb -0.02 -1.07 -0.04 0.00 0.52 0.00 0.00 34.95 34.35 3mmy s ARG 296 CO 0.04 0.24 0.06 -0.59 0.02 0.00 0.00 175.30 175.07 3mmy s PHE 297 N -1.31 3.21 0.09 -0.53 -0.71 -1.26 -2.35 117.98 115.11 3mmy s PHE 297 Ca 0.03 0.15 0.06 0.00 -1.04 0.00 0.00 56.93 56.12 3mmy s PHE 297 Cb -0.10 -1.70 -0.03 0.00 -1.21 0.00 0.00 43.02 39.99 3mmy s PHE 297 CO 0.03 0.52 -0.16 -1.12 -1.34 0.00 0.00 175.22 173.15 3mmy s SER 298 N -1.80 1.94 -0.05 1.98 0.01 -0.50 -0.51 113.70 114.77 3mmy s SER 298 Ca 0.23 -0.66 0.05 0.00 1.31 0.00 0.00 55.95 56.88 3mmy s SER 298 Cb -0.12 -0.08 -0.02 0.00 0.21 0.00 0.00 66.02 66.02 3mmy s SER 298 CO 0.14 -0.05 -0.21 -0.36 0.41 0.00 0.00 173.24 173.17 3mmy s PHE 299 N -1.35 2.52 0.05 2.43 0.08 -0.07 -0.87 117.98 120.77 3mmy s PHE 299 Ca 0.02 -0.49 0.01 0.00 0.12 0.00 0.00 56.93 56.58 3mmy s PHE 299 Cb -0.09 -1.61 -0.03 0.00 -0.57 0.00 0.00 43.02 40.72 3mmy s PHE 299 CO 0.03 -0.06 -0.06 -1.58 -0.10 0.00 0.00 175.22 173.45 3mmy s TRP 300 N -0.38 0.63 -0.27 0.36 0.52 0.77 0.37 118.94 120.94 3mmy s TRP 300 Ca 0.03 -0.71 0.02 0.00 0.02 0.00 0.00 56.10 55.46 3mmy s TRP 300 Cb -0.12 -0.39 0.06 0.00 -1.15 0.00 0.00 33.47 31.86 3mmy s TRP 300 CO 0.02 -0.17 -0.08 0.34 0.02 0.00 0.00 176.95 177.08 3mmy s ASP 301 N -2.17 4.56 0.00 2.95 -1.08 0.08 -1.37 116.67 119.64 3mmy s ASP 301 Ca -0.02 -1.37 0.29 0.00 -0.52 0.00 0.00 52.55 50.92 3mmy s ASP 301 Cb -0.03 -1.59 1.20 0.00 -1.46 0.00 0.00 42.92 41.03 3mmy s ASP 301 CO -0.03 -0.21 1.87 2.29 0.52 0.00 0.00 175.17 179.61 3mmy n LYS 302 N 4.48 0.26 -0.09 4.34 -0.00 -1.26 -1.17 118.16 124.71 3mmy n LYS 302 Ca -0.14 -0.06 -0.16 0.00 -0.00 0.00 0.00 58.31 57.95 3mmy n LYS 302 Cb 0.42 -1.50 -0.09 0.00 -0.00 0.00 0.00 35.03 33.86 3mmy n LYS 302 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.40 176.96 3mmy h ASP 303 N 0.14 0.00 1.27 -5.58 3.32 -1.94 -3.35 116.42 110.28 3mmy h ASP 303 Ca 0.00 -0.47 0.00 0.00 0.02 0.00 0.00 57.03 56.58 3mmy h ASP 303 Cb 0.42 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.97 3mmy h ASP 303 CO 0.00 1.23 0.00 0.00 -1.72 0.00 0.00 179.24 178.75 3mmy h ALA 304 N -0.53 1.00 -4.85 3.45 0.00 -2.01 -3.47 119.26 112.85 3mmy h ALA 304 Ca -0.21 0.00 -0.25 0.00 0.00 0.00 0.00 54.91 54.45 3mmy h ALA 304 Cb 1.05 0.00 0.14 0.00 0.00 0.00 0.00 17.79 18.97 3mmy h ALA 304 CO -0.13 0.00 -0.61 0.54 0.00 0.00 0.00 179.25 179.05 3mmy n ARG 305 N -2.62 -4.57 -4.28 0.00 1.74 -0.32 -5.05 116.66 101.56 3mmy n ARG 305 Ca 0.03 0.66 -0.19 0.00 -0.77 0.00 0.00 57.85 57.59 3mmy n ARG 305 Cb 0.36 -5.07 -0.11 0.00 -1.02 0.00 0.00 32.46 26.62 3mmy n ARG 305 CO 0.00 0.00 0.00 0.95 -1.52 0.00 0.00 177.63 177.06 3mmy s THR 306 N -3.28 1.49 -0.20 0.55 -4.23 -0.55 -4.99 115.64 104.43 3mmy s THR 306 Ca 0.06 -1.86 -0.19 0.00 -1.18 0.00 0.00 61.69 58.52 3mmy s THR 306 Cb -0.01 -1.70 -0.03 0.00 1.34 0.00 0.00 72.50 72.10 3mmy s THR 306 CO 0.57 -0.44 0.55 -0.75 -0.54 0.00 0.00 174.62 174.01 3mmy s LYS 307 N -2.92 4.20 -0.02 3.99 2.20 -1.26 -0.74 119.74 125.19 3mmy s LYS 307 Ca 0.13 0.48 0.04 0.00 -0.36 0.00 0.00 55.97 56.26 3mmy s LYS 307 Cb -0.04 -3.56 -0.25 0.00 -1.51 0.00 0.00 37.83 32.47 3mmy s LYS 307 CO 0.04 -0.17 0.76 -0.07 -0.36 0.00 0.00 175.35 175.56 3mmy h LEU 308 N 7.98 0.20 -7.00 5.43 3.38 -0.42 -3.48 115.31 121.40 3mmy h LEU 308 Ca -0.33 -0.33 0.04 0.00 0.09 0.00 0.00 57.88 57.35 3mmy h LEU 308 Cb 1.15 -0.06 -0.24 0.00 0.09 0.00 0.00 40.66 41.60 3mmy h LEU 308 CO 0.75 1.28 0.43 -0.75 0.09 0.00 0.00 178.44 180.24 3mmy s LYS 309 N -2.61 0.64 -0.02 1.13 2.20 -1.11 -4.96 119.74 115.01 3mmy s LYS 309 Ca -0.08 0.41 0.06 0.00 -0.36 0.00 0.00 55.97 56.00 3mmy s LYS 309 Cb 0.08 0.31 -0.01 0.00 -1.51 0.00 0.00 37.83 36.69 3mmy s LYS 309 CO 0.83 -0.15 -0.21 0.99 -0.36 0.00 0.00 175.35 176.45 3mmy s THR 310 N -0.46 1.64 0.84 3.43 2.01 -1.26 -0.89 115.64 120.94 3mmy s THR 310 Ca -0.01 -0.87 -0.12 0.00 0.31 0.00 0.00 61.69 61.00 3mmy s THR 310 Cb -0.03 -1.37 0.10 0.00 0.01 0.00 0.00 72.50 71.21 3mmy s THR 310 CO -0.00 0.46 1.10 -0.94 -0.69 0.00 0.00 174.62 174.55 3mmy s SER 311 N -0.38 4.05 0.86 3.53 1.04 0.33 -5.01 113.70 118.12 3mmy s SER 311 Ca 0.05 1.34 -0.11 0.00 0.48 0.00 0.00 55.95 57.72 3mmy s SER 311 Cb -0.09 -2.05 0.11 0.00 0.10 0.00 0.00 66.02 64.10 3mmy s SER 311 CO -0.00 -2.25 1.14 -1.61 0.98 0.00 0.00 173.24 171.49 3mmy s GLU 312 N -5.09 1.43 -0.12 4.02 0.41 -1.26 -4.77 118.70 113.32 3mmy s GLU 312 Ca 0.62 1.47 -0.24 0.00 -0.41 0.00 0.00 54.97 56.41 3mmy s GLU 312 Cb -0.16 -1.78 -0.03 0.00 -1.78 0.00 0.00 34.13 30.39 3mmy s GLU 312 CO 0.55 -2.31 0.76 -1.14 -0.49 0.00 0.00 175.26 172.63 3mmy s GLN 313 N -4.66 4.36 0.82 1.61 0.74 -1.26 -4.64 119.66 116.63 3mmy s GLN 313 Ca 0.66 0.93 -0.12 0.00 0.05 0.00 0.00 55.36 56.88 3mmy s GLN 313 Cb -0.22 -3.52 0.08 0.00 1.10 0.00 0.00 33.01 30.46 3mmy s GLN 313 CO 0.56 -0.14 1.11 -0.51 -0.55 0.00 0.00 175.29 175.76 3mmy s LEU 314 N 1.52 2.48 0.00 3.68 1.02 0.88 -4.82 118.68 123.44 3mmy s LEU 314 Ca 0.37 1.19 0.17 0.00 0.02 0.00 0.00 54.13 55.88 3mmy s LEU 314 Cb -0.17 -3.74 0.76 0.00 0.02 0.00 0.00 46.19 43.06 3mmy s LEU 314 CO 0.15 -2.06 1.52 -0.90 0.02 0.00 0.00 176.35 175.08 3mmy n ASP 315 N -3.47 0.86 -3.90 2.29 5.75 -1.04 -4.76 116.55 112.28 3mmy n ASP 315 Ca 0.07 -1.66 -0.09 0.00 -0.01 0.00 0.00 54.79 53.10 3mmy n ASP 315 Cb 0.57 -0.07 -0.04 0.00 -1.03 0.00 0.00 41.12 40.55 3mmy n ASP 315 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 3mmy s GLN 316 N -1.87 1.52 0.81 0.11 -2.07 -1.26 -5.09 119.66 111.82 3mmy s GLN 316 Ca 0.26 -1.09 -0.13 0.00 -1.82 0.00 0.00 55.36 52.58 3mmy s GLN 316 Cb 0.13 0.51 0.08 0.00 -1.09 0.00 0.00 33.01 32.64 3mmy s GLN 316 CO 0.20 -0.65 1.17 -2.30 -1.32 0.00 0.00 175.29 172.40 3mmy n PRO 317 N -0.37 0.16 -3.67 9.60 -0.02 -1.26 -4.18 135.00 135.26 3mmy n PRO 317 Ca -0.05 0.13 -0.36 0.00 -2.02 0.00 0.00 63.50 61.20 3mmy n PRO 317 Cb 0.62 -2.41 -0.10 0.00 -0.02 0.00 0.00 33.50 31.59 3mmy n PRO 317 CO 0.00 0.00 0.00 0.42 1.98 0.00 0.00 175.50 177.90 3mmy s ILE 318 N -2.13 5.32 -0.57 4.25 1.01 -0.89 -1.72 121.20 126.47 3mmy s ILE 318 Ca 0.73 0.17 0.19 0.00 0.00 0.00 0.00 60.65 61.74 3mmy s ILE 318 Cb -0.29 -3.48 -0.25 0.00 0.01 0.00 0.00 42.46 38.46 3mmy s ILE 318 CO 0.51 0.35 0.67 -1.54 0.00 0.00 0.00 174.94 174.93 3mmy n SER 319 N 4.26 0.75 -3.55 3.58 3.41 -0.27 -3.97 113.62 117.83 3mmy n SER 319 Ca -0.15 -0.59 -0.08 0.00 -0.26 0.00 0.00 58.87 57.79 3mmy n SER 319 Cb 0.52 1.34 -0.03 0.00 -0.26 0.00 0.00 64.21 65.78 3mmy n SER 319 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3mmy s ALA 320 N -3.02 -1.92 0.19 7.33 0.00 -1.26 -4.66 121.76 118.42 3mmy s ALA 320 Ca 0.02 1.34 -0.20 0.00 0.00 0.00 0.00 51.96 53.11 3mmy s ALA 320 Cb 0.14 -0.08 0.04 0.00 0.00 0.00 0.00 23.12 23.22 3mmy s ALA 320 CO 0.80 -0.55 0.58 0.00 0.00 0.00 0.00 175.76 176.59 3mmy s PHE 323 N -3.12 2.51 1.10 0.00 0.40 -1.26 -0.90 117.98 116.71 3mmy s PHE 323 Ca 0.12 -0.27 -0.17 0.00 -0.60 0.00 0.00 56.93 56.01 3mmy s PHE 323 Cb -0.00 -1.24 0.24 0.00 0.51 0.00 0.00 43.02 42.53 3mmy s PHE 323 CO 0.00 0.50 1.15 0.54 0.70 0.00 0.00 175.22 178.11 3mmy s ASN 324 N -2.72 1.79 0.46 1.36 4.22 -0.70 -4.47 114.94 114.89 3mmy s ASN 324 Ca 0.23 0.68 0.12 0.00 -2.14 0.00 0.00 52.86 51.74 3mmy s ASN 324 Cb -0.09 -0.98 1.06 0.00 1.28 0.00 0.00 41.25 42.52 3mmy s ASN 324 CO 0.13 -3.59 2.09 1.12 -2.04 0.00 0.00 177.10 174.81 3mmy h HIS 325 N -2.22 0.22 -0.18 1.54 2.07 -1.90 -1.63 115.15 113.06 3mmy h HIS 325 Ca -0.47 0.00 0.00 0.00 -2.85 0.00 0.00 60.37 57.05 3mmy h HIS 325 Cb 1.29 -0.07 0.00 0.00 2.57 0.00 0.00 27.41 31.20 3mmy h HIS 325 CO -1.37 0.17 0.00 0.27 -3.07 0.00 0.00 177.93 173.92 3mmy n ASN 326 N -4.48 2.77 -0.02 3.10 0.23 -1.26 -4.82 115.26 110.77 3mmy n ASN 326 Ca -0.00 -1.81 -0.00 0.00 -0.53 0.00 0.00 54.58 52.23 3mmy n ASN 326 Cb 0.10 -0.11 -0.00 0.00 -2.08 0.00 0.00 39.78 37.69 3mmy n ASN 326 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 3mmy n GLY 327 N 1.03 0.38 0.15 4.83 0.00 -0.61 -4.61 105.19 106.35 3mmy n GLY 327 Ca 0.13 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.24 3mmy n GLY 327 CO 0.00 0.00 0.00 3.43 0.00 0.00 0.00 173.32 176.75 3mmy h ASN 328 N 0.00 0.00 -3.37 1.61 2.35 -1.88 -3.35 115.58 110.94 3mmy h ASN 328 Ca -0.01 0.00 -0.54 0.00 -0.55 0.00 0.00 56.30 55.20 3mmy h ASN 328 Cb 0.30 0.00 -0.34 0.00 0.05 0.00 0.00 38.32 38.33 3mmy h ASN 328 CO 0.01 0.00 -0.82 -0.63 -1.65 0.00 0.00 177.43 174.34 3mmy s ILE 329 N -3.32 1.27 -0.19 2.81 1.01 -1.26 -3.95 121.20 117.57 3mmy s ILE 329 Ca 0.05 -0.54 -0.05 0.00 0.00 0.00 0.00 60.65 60.11 3mmy s ILE 329 Cb 0.10 -1.16 -0.03 0.00 0.01 0.00 0.00 42.46 41.38 3mmy s ILE 329 CO 0.46 0.39 0.00 0.12 0.00 0.00 0.00 174.94 175.92 3mmy s PHE 330 N 0.74 3.06 -0.12 3.97 2.19 0.38 -1.72 117.98 126.48 3mmy s PHE 330 Ca -0.13 -0.37 -0.02 0.00 0.33 0.00 0.00 56.93 56.75 3mmy s PHE 330 Cb -0.16 -2.07 -0.03 0.00 -1.31 0.00 0.00 43.02 39.46 3mmy s PHE 330 CO 0.03 -0.17 -0.05 0.00 1.83 0.00 0.00 175.22 176.86 3mmy s ALA 331 N 0.84 3.01 0.01 11.12 0.00 -0.08 -1.02 121.76 135.64 3mmy s ALA 331 Ca 0.01 -0.84 0.01 0.00 0.00 0.00 0.00 51.96 51.13 3mmy s ALA 331 Cb -0.14 -1.42 -0.01 0.00 0.00 0.00 0.00 23.12 21.55 3mmy s ALA 331 CO 0.02 0.39 -0.04 1.52 0.00 0.00 0.00 175.76 177.64 3mmy s TYR 332 N -0.20 0.37 -0.17 0.00 1.13 -0.41 -1.19 117.35 116.88 3mmy s TYR 332 Ca 0.03 -0.24 -0.06 0.00 -1.41 0.00 0.00 57.07 55.40 3mmy s TYR 332 Cb -0.13 -0.24 -0.03 0.00 -1.10 0.00 0.00 41.96 40.46 3mmy s TYR 332 CO 0.02 -0.05 0.01 0.00 -2.51 0.00 0.00 175.55 173.02 3mmy s ALA 333 N -0.61 3.19 -0.47 9.51 0.00 -0.53 -0.46 121.76 132.40 3mmy s ALA 333 Ca -0.04 -0.80 -0.18 0.00 0.00 0.00 0.00 51.96 50.94 3mmy s ALA 333 Cb -0.05 -1.75 0.05 0.00 0.00 0.00 0.00 23.12 21.37 3mmy s ALA 333 CO -0.00 0.16 0.50 0.45 0.00 0.00 0.00 175.76 176.86 3mmy s SER 334 N 0.43 6.19 -0.13 0.00 0.15 0.63 -1.11 113.70 119.87 3mmy s SER 334 Ca -0.00 -0.92 -0.22 0.00 0.70 0.00 0.00 55.95 55.51 3mmy s SER 334 Cb -0.13 -2.24 0.05 0.00 -1.71 0.00 0.00 66.02 61.99 3mmy s SER 334 CO 0.02 -0.71 0.55 -0.44 1.20 0.00 0.00 173.24 173.85 3mmy s SER 335 N 2.33 -0.53 0.36 5.45 0.01 -0.70 -2.09 113.70 118.53 3mmy s SER 335 Ca 0.11 0.84 -0.28 0.00 1.31 0.00 0.00 55.95 57.93 3mmy s SER 335 Cb -0.20 0.84 -0.11 0.00 0.21 0.00 0.00 66.02 66.77 3mmy s SER 335 CO 0.11 -0.35 1.45 -0.47 0.41 0.00 0.00 173.24 174.39 3mmy s TYR 336 N -0.38 2.70 -0.46 2.43 5.04 -1.26 -4.02 117.35 121.40 3mmy s TYR 336 Ca -0.05 1.21 0.05 0.00 -2.44 0.00 0.00 57.07 55.83 3mmy s TYR 336 Cb -0.03 -3.95 0.10 0.00 0.35 0.00 0.00 41.96 38.44 3mmy s TYR 336 CO 0.04 -2.75 0.97 -0.40 -1.34 0.00 0.00 175.55 172.07 3mmy n ASP 337 N 0.61 2.10 -0.50 4.32 5.68 -1.26 -4.80 116.55 122.70 3mmy n ASP 337 Ca 0.01 -1.76 -0.07 0.00 -0.50 0.00 0.00 54.79 52.47 3mmy n ASP 337 Cb 0.40 -0.07 -0.03 0.00 -1.14 0.00 0.00 41.12 40.28 3mmy n ASP 337 CO 0.00 0.00 0.00 1.87 -1.33 0.00 0.00 177.20 177.74 3mmy n TRP 338 N 0.03 0.00 0.25 2.11 -0.00 -1.26 -4.89 117.44 113.69 3mmy n TRP 338 Ca 0.04 0.00 0.12 0.00 -0.00 0.00 0.00 57.50 57.67 3mmy n TRP 338 Cb 0.26 -1.68 0.61 0.00 -0.00 0.00 0.00 31.31 30.51 3mmy n TRP 338 CO 0.00 0.00 0.00 0.66 -0.00 0.00 0.00 177.69 178.35 3mmy h SER 339 N 0.00 0.00 0.00 5.87 4.64 -1.99 -0.55 113.55 121.52 3mmy h SER 339 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 3mmy h SER 339 Cb 0.65 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.74 3mmy h SER 339 CO 0.20 0.00 -0.06 0.29 -0.87 0.00 0.00 176.83 176.39 3mmy n LYS 340 N -2.35 1.55 -0.01 4.77 5.02 -1.26 -5.11 118.16 120.78 3mmy n LYS 340 Ca -0.00 -1.94 0.00 0.00 -2.02 0.00 0.00 58.31 54.35 3mmy n LYS 340 Cb 0.11 -1.17 -0.00 0.00 -0.02 0.00 0.00 35.03 33.95 3mmy n LYS 340 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 3mmy n GLY 341 N -0.90 -2.06 0.23 0.72 0.00 -0.22 -4.41 105.19 98.56 3mmy n GLY 341 Ca 0.08 -1.41 0.10 0.00 0.00 0.00 0.00 46.02 44.79 3mmy n GLY 341 CO 0.00 0.00 0.00 1.12 0.00 0.00 0.00 173.32 174.44 3mmy h HIS 342 N -0.00 0.00 0.00 1.61 2.07 -1.98 -3.16 115.15 113.68 3mmy h HIS 342 Ca 0.00 0.00 -0.01 0.00 -2.85 0.00 0.00 60.37 57.51 3mmy h HIS 342 Cb 0.00 0.00 -0.00 0.00 2.57 0.00 0.00 27.41 29.98 3mmy h HIS 342 CO 0.00 0.21 -0.05 0.93 -3.07 0.00 0.00 177.93 175.95 3mmy h GLU 343 N 0.00 0.00 -0.40 5.12 5.08 -2.00 -2.33 114.58 120.05 3mmy h GLU 343 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 3mmy h GLU 343 Cb 0.54 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.79 3mmy h GLU 343 CO 0.03 0.05 0.00 1.19 -1.00 0.00 0.00 179.01 179.28 3mmy n PHE 344 N -3.31 0.53 -2.57 4.33 3.01 -1.19 -4.92 117.46 113.34 3mmy n PHE 344 Ca -0.01 -0.43 -0.43 0.00 1.01 0.00 0.00 57.45 57.59 3mmy n PHE 344 Cb 0.21 -0.02 -0.02 0.00 -0.01 0.00 0.00 39.48 39.64 3mmy n PHE 344 CO 0.00 0.00 0.00 -0.47 1.01 0.00 0.00 176.76 177.30 3mmy s TYR 345 N -1.03 3.29 -0.44 1.38 6.04 -0.88 -5.00 117.35 120.71 3mmy s TYR 345 Ca 0.29 1.37 0.01 0.00 0.04 0.00 0.00 57.07 58.77 3mmy s TYR 345 Cb 0.16 -3.32 0.12 0.00 -1.04 0.00 0.00 41.96 37.87 3mmy s TYR 345 CO 0.21 -0.83 0.20 1.21 -1.54 0.00 0.00 175.55 174.79 3mmy s ASN 346 N 1.35 4.93 0.00 4.32 3.84 -1.26 -4.97 114.94 123.15 3mmy s ASN 346 Ca 0.51 -2.38 0.13 0.00 0.21 0.00 0.00 52.86 51.33 3mmy s ASN 346 Cb -0.20 -1.73 0.66 0.00 -0.55 0.00 0.00 41.25 39.42 3mmy s ASN 346 CO 0.17 -0.41 1.33 -0.81 -2.79 0.00 0.00 177.10 174.60 3mmy n PRO 347 N 4.04 0.19 -0.01 0.43 -0.04 -1.26 -1.76 135.00 136.59 3mmy n PRO 347 Ca 0.03 0.16 0.11 0.00 -0.04 0.00 0.00 63.50 63.75 3mmy n PRO 347 Cb 0.39 -1.50 -0.16 0.00 -0.04 0.00 0.00 33.50 32.19 3mmy n PRO 347 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 3mmy n GLN 348 N -1.28 0.53 -2.12 0.54 6.02 -1.26 -4.93 117.38 114.88 3mmy n GLN 348 Ca 0.06 -0.16 -0.41 0.00 -0.01 0.00 0.00 57.00 56.48 3mmy n GLN 348 Cb 0.10 -1.51 -0.03 0.00 1.02 0.00 0.00 30.24 29.82 3mmy n GLN 348 CO 0.00 0.00 0.00 0.21 -1.01 0.00 0.00 177.06 176.26 3mmy s LYS 349 N -3.41 4.33 0.45 -1.09 2.20 -0.72 -4.98 119.74 116.51 3mmy s LYS 349 Ca -0.05 2.17 -0.22 0.00 -0.36 0.00 0.00 55.97 57.52 3mmy s LYS 349 Cb 0.14 -3.16 -0.09 0.00 -1.51 0.00 0.00 37.83 33.21 3mmy s LYS 349 CO 0.90 -0.35 1.03 0.21 -0.36 0.00 0.00 175.35 176.78 3mmy s LYS 350 N -0.08 3.97 0.01 4.03 2.20 -1.26 -5.02 119.74 123.59 3mmy s LYS 350 Ca 0.59 1.38 -0.05 0.00 -0.36 0.00 0.00 55.97 57.53 3mmy s LYS 350 Cb -0.39 -2.25 -0.04 0.00 -1.51 0.00 0.00 37.83 33.64 3mmy s LYS 350 CO 0.39 -0.29 0.24 -0.80 -0.36 0.00 0.00 175.35 174.53 3mmy s ASN 351 N -1.87 6.44 0.03 1.43 0.01 -1.26 -4.90 114.94 114.81 3mmy s ASN 351 Ca 0.64 0.46 0.03 0.00 -0.71 0.00 0.00 52.86 53.28 3mmy s ASN 351 Cb -0.17 -2.05 -0.02 0.00 0.41 0.00 0.00 41.25 39.42 3mmy s ASN 351 CO 0.21 0.24 -0.10 -0.31 -1.51 0.00 0.00 177.10 175.63 3mmy s TYR 352 N -1.35 0.87 -0.18 2.20 1.51 -0.89 -4.81 117.35 114.70 3mmy s TYR 352 Ca 0.29 -0.32 -0.04 0.00 -1.01 0.00 0.00 57.07 55.99 3mmy s TYR 352 Cb -0.13 -0.53 -0.02 0.00 -0.11 0.00 0.00 41.96 41.17 3mmy s TYR 352 CO 0.18 -0.01 -0.03 0.42 -1.11 0.00 0.00 175.55 175.00 3mmy s ILE 353 N -0.79 3.77 0.07 2.71 1.01 -1.26 -0.26 121.20 126.44 3mmy s ILE 353 Ca -0.01 -0.39 0.05 0.00 0.00 0.00 0.00 60.65 60.30 3mmy s ILE 353 Cb -0.07 -2.68 -0.04 0.00 0.01 0.00 0.00 42.46 39.69 3mmy s ILE 353 CO 0.01 0.46 -0.05 -0.36 0.00 0.00 0.00 174.94 175.00 3mmy s PHE 354 N 0.77 2.89 0.00 3.97 2.99 0.40 -1.23 117.98 127.77 3mmy s PHE 354 Ca -0.01 -0.06 0.07 0.00 0.00 0.00 0.00 56.93 56.92 3mmy s PHE 354 Cb -0.14 -1.53 -0.02 0.00 0.00 0.00 0.00 43.02 41.33 3mmy s PHE 354 CO 0.02 0.43 -0.21 -0.51 -0.00 0.00 0.00 175.22 174.96 3mmy s LEU 355 N -2.00 2.07 -0.00 -0.37 1.43 0.15 -1.28 118.68 118.68 3mmy s LEU 355 Ca 0.22 -0.41 0.00 0.00 -1.03 0.00 0.00 54.13 52.91 3mmy s LEU 355 Cb -0.11 -1.03 0.00 0.00 0.03 0.00 0.00 46.19 45.08 3mmy s LEU 355 CO 0.14 0.23 0.00 -0.60 0.23 0.00 0.00 176.35 176.35 3mmy s ARG 356 N -0.67 0.00 -0.99 1.70 3.52 -0.19 -1.40 118.95 120.92 3mmy s ARG 356 Ca 0.08 0.02 -0.22 0.00 -0.13 0.00 0.00 55.73 55.48 3mmy s ARG 356 Cb -0.08 -0.04 0.07 0.00 -1.56 0.00 0.00 34.95 33.34 3mmy s ARG 356 CO -0.00 -0.02 1.35 -0.80 -0.81 0.00 0.00 175.30 175.02 3mmy s ASN 357 N 0.14 6.53 -0.03 -2.12 0.01 -1.26 -0.47 114.94 117.74 3mmy s ASN 357 Ca -0.01 -1.60 0.12 0.00 -0.71 0.00 0.00 52.86 50.66 3mmy s ASN 357 Cb -0.02 -2.52 0.36 0.00 0.41 0.00 0.00 41.25 39.48 3mmy s ASN 357 CO -0.00 -1.39 1.30 0.00 -1.51 0.00 0.00 177.10 175.50 3mmy n ALA 358 N 8.22 2.34 -0.29 0.60 0.00 -1.25 -4.73 120.51 125.41 3mmy n ALA 358 Ca 0.30 -1.36 0.03 0.00 0.00 0.00 0.00 53.44 52.41 3mmy n ALA 358 Cb 0.50 -0.50 0.17 0.00 0.00 0.00 0.00 19.45 19.62 3mmy n ALA 358 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 3mmy h ALA 359 N 2.07 1.18 0.00 0.00 0.00 -1.79 -1.40 119.26 119.31 3mmy h ALA 359 Ca 0.00 0.04 -0.07 0.00 0.00 0.00 0.00 54.91 54.88 3mmy h ALA 359 Cb 0.88 -0.12 -0.01 0.00 0.00 0.00 0.00 17.79 18.54 3mmy h ALA 359 CO 0.04 0.07 -0.46 0.93 0.00 0.00 0.00 179.25 179.84 3mmy h GLU 360 N 0.76 0.00 0.00 0.00 4.39 -1.93 -2.51 114.58 115.30 3mmy h GLU 360 Ca 0.40 0.00 -0.02 0.00 0.34 0.00 0.00 59.36 60.09 3mmy h GLU 360 Cb 0.39 0.00 -0.00 0.00 -0.10 0.00 0.00 28.75 29.04 3mmy h GLU 360 CO -0.26 0.27 -0.07 0.93 -1.16 0.00 0.00 179.01 178.72 3mmy h GLU 361 N 0.00 0.00 -0.32 2.33 5.08 -1.62 -2.89 114.58 117.16 3mmy h GLU 361 Ca -0.02 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 3mmy h GLU 361 Cb 1.24 0.00 0.00 0.00 0.50 0.00 0.00 28.75 30.49 3mmy h GLU 361 CO 0.04 0.07 0.00 1.28 -1.00 0.00 0.00 179.01 179.40 3mmy n LEU 362 N -3.25 3.21 -4.52 1.33 4.77 -0.63 -4.78 117.00 113.14 3mmy n LEU 362 Ca -0.00 -1.47 -0.41 0.00 -0.03 0.00 0.00 56.01 54.10 3mmy n LEU 362 Cb 0.30 -0.20 -0.10 0.00 -2.33 0.00 0.00 43.42 41.09 3mmy n LEU 362 CO 0.28 0.69 -0.08 -0.75 -1.33 0.00 0.00 177.39 176.21 3mmy s LYS 363 N -1.39 3.38 0.30 3.23 2.20 -1.01 -4.61 119.74 121.83 3mmy s LYS 363 Ca 0.33 -0.69 -0.29 0.00 -0.36 0.00 0.00 55.97 54.96 3mmy s LYS 363 Cb 0.20 -3.85 -0.10 0.00 -1.51 0.00 0.00 37.83 32.56 3mmy s LYS 363 CO 0.28 -0.54 1.38 -2.14 -0.36 0.00 0.00 175.35 173.97 3mmy s PRO 364 N 1.78 4.29 0.00 4.03 0.02 -1.26 -4.98 135.00 138.88 3mmy s PRO 364 Ca 0.07 2.29 0.26 0.00 0.02 0.00 0.00 61.00 63.64 3mmy s PRO 364 Cb -0.18 -3.08 1.57 0.00 0.02 0.00 0.00 34.50 32.84 3mmy s PRO 364 CO 0.11 -0.32 1.93 -2.13 -0.33 0.00 0.00 177.00 176.25