#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2wcg n ALA 1 N 0.00 -2.25 -2.65 4.37 0.00 -0.55 -4.97 120.51 114.46 2wcg n ALA 1 Ca 0.00 -0.28 -0.40 0.00 0.00 0.00 0.00 53.44 52.77 2wcg n ALA 1 Cb 0.00 -2.54 -0.05 0.00 0.00 0.00 0.00 19.45 16.87 2wcg n ALA 1 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 177.50 178.53 2wcg s ARG 2 N -6.39 4.43 0.67 0.00 0.52 -1.23 -4.90 118.95 112.06 2wcg s ARG 2 Ca 0.21 0.89 -0.11 0.00 -0.52 0.00 0.00 55.73 56.20 2wcg s ARG 2 Cb -0.08 -3.43 -0.01 0.00 0.52 0.00 0.00 34.95 31.96 2wcg s ARG 2 CO 0.88 0.12 1.05 -1.25 0.02 0.00 0.00 175.30 176.13 2wcg s PRO 3 N 0.58 3.11 0.17 3.54 0.04 -1.26 -0.31 135.00 140.87 2wcg s PRO 3 Ca 0.37 0.91 -0.34 0.00 0.04 0.00 0.00 61.00 61.99 2wcg s PRO 3 Cb -0.18 -2.01 -0.14 0.00 0.04 0.00 0.00 34.50 32.21 2wcg s PRO 3 CO 0.19 -0.96 1.54 0.00 0.04 0.00 0.00 177.00 177.80 2wcg s ILE 5 N 0.72 4.69 0.40 0.00 -1.09 -1.26 -4.98 121.20 119.68 2wcg s ILE 5 Ca 0.77 -0.64 -0.23 0.00 -2.23 0.00 0.00 60.65 58.32 2wcg s ILE 5 Cb -0.69 -4.49 -0.09 0.00 -1.58 0.00 0.00 42.46 35.61 2wcg s ILE 5 CO 0.40 -1.12 1.01 -2.16 -1.23 0.00 0.00 174.94 171.84 2wcg s PRO 6 N 3.06 4.22 -0.08 2.79 0.04 -1.26 -0.80 135.00 142.97 2wcg s PRO 6 Ca 0.16 1.39 -0.04 0.00 0.04 0.00 0.00 61.00 62.55 2wcg s PRO 6 Cb -0.20 -2.48 0.04 0.00 0.04 0.00 0.00 34.50 31.90 2wcg s PRO 6 CO 0.09 -0.07 0.19 0.21 0.04 0.00 0.00 177.00 177.46 2wcg s LYS 7 N -2.61 0.13 0.06 4.56 2.20 -0.20 -4.88 119.74 118.99 2wcg s LYS 7 Ca 0.58 0.47 -0.13 0.00 -0.36 0.00 0.00 55.97 56.52 2wcg s LYS 7 Cb -0.18 -0.16 -0.06 0.00 -1.51 0.00 0.00 37.83 35.92 2wcg s LYS 7 CO 0.23 -0.19 0.44 0.45 -0.36 0.00 0.00 175.35 175.93 2wcg s SER 8 N 1.40 6.78 -0.10 1.43 0.15 -1.26 -1.50 113.70 120.59 2wcg s SER 8 Ca -0.07 0.95 0.14 0.00 0.70 0.00 0.00 55.95 57.67 2wcg s SER 8 Cb -0.11 -2.24 0.28 0.00 -1.71 0.00 0.00 66.02 62.24 2wcg s SER 8 CO -0.07 0.23 1.19 0.49 1.20 0.00 0.00 173.24 176.28 2wcg n PHE 9 N 1.33 0.23 -0.03 3.44 3.01 -1.26 -4.97 117.46 119.22 2wcg n PHE 9 Ca -0.10 -0.84 0.00 0.00 1.01 0.00 0.00 57.45 57.52 2wcg n PHE 9 Cb 0.52 -0.16 0.00 0.00 -0.01 0.00 0.00 39.48 39.84 2wcg n PHE 9 CO 0.00 0.00 0.00 0.41 1.01 0.00 0.00 176.76 178.18 2wcg n GLY 10 N -0.91 0.44 0.00 1.37 0.00 -1.26 -4.98 105.19 99.85 2wcg n GLY 10 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.16 2wcg n GLY 10 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wcg n TYR 11 N -2.00 -1.89 0.31 1.61 4.02 -1.26 -4.99 117.16 112.96 2wcg n TYR 11 Ca 0.00 0.00 0.15 0.00 -0.01 0.00 0.00 57.90 58.04 2wcg n TYR 11 Cb 0.00 0.00 0.56 0.00 -0.02 0.00 0.00 39.34 39.88 2wcg n TYR 11 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 2wcg h SER 12 N 0.00 0.00 -1.13 7.72 4.64 -1.90 -3.46 113.55 119.42 2wcg h SER 12 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 2wcg h SER 12 Cb 0.00 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.09 2wcg h SER 12 CO 0.00 0.00 0.00 -0.24 -0.87 0.00 0.00 176.83 175.72 2wcg n SER 13 N -2.92 0.00 -4.68 4.97 2.88 -0.31 -4.83 113.62 108.74 2wcg n SER 13 Ca 0.02 -0.68 -0.25 0.00 -1.33 0.00 0.00 58.87 56.63 2wcg n SER 13 Cb 0.34 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 63.73 2wcg n SER 13 CO 0.00 0.00 0.00 0.68 -1.23 0.00 0.00 175.04 174.49 2wcg s VAL 14 N -2.14 3.72 0.29 2.46 -7.23 -1.25 -4.53 120.40 111.71 2wcg s VAL 14 Ca 0.00 -1.59 0.04 0.00 -1.81 0.00 0.00 61.98 58.62 2wcg s VAL 14 Cb 0.00 -2.93 -0.03 0.00 0.56 0.00 0.00 36.38 33.98 2wcg s VAL 14 CO 0.00 -0.23 0.44 0.68 -0.31 0.00 0.00 175.10 175.68 2wcg s VAL 15 N -1.99 5.02 -0.27 1.32 -7.23 -0.56 -4.40 120.40 112.30 2wcg s VAL 15 Ca 0.29 -0.82 -0.10 0.00 -1.81 0.00 0.00 61.98 59.54 2wcg s VAL 15 Cb -0.08 -3.79 -0.05 0.00 0.56 0.00 0.00 36.38 33.02 2wcg s VAL 15 CO 0.20 -0.37 0.17 0.00 -0.31 0.00 0.00 175.10 174.78 2wcg s VAL 17 N 1.55 4.94 0.14 0.00 1.01 0.02 -1.43 120.40 126.62 2wcg s VAL 17 Ca 0.07 1.49 0.09 0.00 0.00 0.00 0.00 61.98 63.63 2wcg s VAL 17 Cb -0.15 -4.07 -0.04 0.00 0.00 0.00 0.00 36.38 32.11 2wcg s VAL 17 CO 0.09 0.09 -0.21 0.00 0.00 0.00 0.00 175.10 175.06 2wcg n ASN 19 N 0.70 0.00 0.20 0.00 0.23 0.39 -1.39 115.26 115.39 2wcg n ASN 19 Ca -0.16 0.00 0.08 0.00 -0.53 0.00 0.00 54.58 53.97 2wcg n ASN 19 Cb 0.55 0.00 0.28 0.00 -2.08 0.00 0.00 39.78 38.53 2wcg n ASN 19 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 2wcg h ALA 20 N 1.45 0.90 -0.00 -2.53 0.00 -1.90 -3.18 119.26 114.00 2wcg h ALA 20 Ca 0.00 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.68 2wcg h ALA 20 Cb 0.00 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.75 2wcg h ALA 20 CO 0.00 0.32 -0.06 0.25 0.00 0.00 0.00 179.25 179.76 2wcg n THR 21 N -3.26 0.00 -3.72 0.00 -2.24 -1.26 -4.26 114.28 99.54 2wcg n THR 21 Ca 0.02 -0.47 -0.14 0.00 -2.27 0.00 0.00 64.05 61.18 2wcg n THR 21 Cb 0.54 1.07 -0.14 0.00 -2.10 0.00 0.00 70.33 69.70 2wcg n THR 21 CO 0.00 0.00 0.00 -0.47 -0.57 0.00 0.00 175.07 174.03 2wcg s TYR 22 N -0.70 -0.21 -0.03 4.78 5.04 -1.20 -5.13 117.35 119.90 2wcg s TYR 22 Ca 0.05 0.59 -0.06 0.00 -2.44 0.00 0.00 57.07 55.21 2wcg s TYR 22 Cb 0.04 -0.10 0.01 0.00 0.35 0.00 0.00 41.96 42.26 2wcg s TYR 22 CO 0.10 -0.21 0.13 0.00 -1.34 0.00 0.00 175.55 174.23 2wcg s ASP 24 N -0.54 5.86 0.27 0.00 -4.77 -1.26 -4.77 116.67 111.47 2wcg s ASP 24 Ca -0.06 2.50 -0.03 0.00 -3.30 0.00 0.00 52.55 51.65 2wcg s ASP 24 Cb -0.04 -2.62 -0.02 0.00 -1.09 0.00 0.00 42.92 39.16 2wcg s ASP 24 CO 0.01 -1.14 0.35 -0.94 0.70 0.00 0.00 175.17 174.14 2wcg s SER 25 N -1.16 0.54 0.35 2.11 1.04 0.58 -4.91 113.70 112.24 2wcg s SER 25 Ca 0.66 -1.36 -0.27 0.00 0.48 0.00 0.00 55.95 55.47 2wcg s SER 25 Cb -0.34 0.55 -0.09 0.00 0.10 0.00 0.00 66.02 66.24 2wcg s SER 25 CO 0.41 -1.09 1.11 -0.36 0.98 0.00 0.00 173.24 174.29 2wcg s PHE 26 N -3.68 3.33 -0.72 5.02 0.40 -0.80 -3.49 117.98 118.03 2wcg s PHE 26 Ca 0.32 1.63 -0.06 0.00 -0.60 0.00 0.00 56.93 58.22 2wcg s PHE 26 Cb 0.02 -3.29 0.19 0.00 0.51 0.00 0.00 43.02 40.45 2wcg s PHE 26 CO 0.16 -0.84 0.59 0.34 0.70 0.00 0.00 175.22 176.17 2wcg s ASP 27 N -1.12 5.82 0.47 1.36 2.15 -1.26 -0.83 116.67 123.26 2wcg s ASP 27 Ca 0.52 -2.90 -0.20 0.00 0.43 0.00 0.00 52.55 50.40 2wcg s ASP 27 Cb -0.29 -1.98 -0.09 0.00 -0.30 0.00 0.00 42.92 40.26 2wcg s ASP 27 CO 0.37 -0.41 1.00 -2.16 -0.17 0.00 0.00 175.17 173.79 2wcg s PRO 28 N -0.14 3.97 0.00 4.34 0.04 -1.26 -4.84 135.00 137.11 2wcg s PRO 28 Ca 0.18 1.21 0.00 0.00 0.04 0.00 0.00 61.00 62.43 2wcg s PRO 28 Cb -0.16 -2.13 0.00 0.00 0.04 0.00 0.00 34.50 32.25 2wcg s PRO 28 CO -0.06 -0.26 0.00 -2.30 0.04 0.00 0.00 177.00 174.42 2wcg n PRO 29 N -0.95 0.88 0.00 0.56 -0.02 -1.26 -5.13 135.00 129.09 2wcg n PRO 29 Ca 0.08 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.56 2wcg n PRO 29 Cb 0.53 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 34.01 2wcg n PRO 29 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wcg n ALA 33 N -3.00 0.00 -2.54 3.55 0.00 -1.26 -5.19 120.51 112.06 2wcg n ALA 33 Ca 0.00 0.00 -0.20 0.00 0.00 0.00 0.00 53.44 53.24 2wcg n ALA 33 Cb 0.00 0.00 -0.12 0.00 0.00 0.00 0.00 19.45 19.33 2wcg n ALA 33 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wcg s LEU 34 N 0.00 2.36 -0.51 0.00 1.43 -1.26 -4.33 118.68 116.37 2wcg s LEU 34 Ca 0.00 -0.75 0.00 0.00 -1.03 0.00 0.00 54.13 52.35 2wcg s LEU 34 Cb 0.00 -0.64 0.00 0.00 0.03 0.00 0.00 46.19 45.58 2wcg s LEU 34 CO 0.00 -0.08 0.00 0.61 0.23 0.00 0.00 176.35 177.11 2wcg n GLY 35 N 0.76 0.22 3.62 -3.19 0.00 -1.26 -5.03 105.19 100.31 2wcg n GLY 35 Ca -0.17 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.61 2wcg n GLY 35 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 2wcg s THR 36 N -1.65 3.05 0.21 2.61 -4.23 -1.26 -1.33 115.64 113.02 2wcg s THR 36 Ca 0.00 -2.00 0.10 0.00 -1.18 0.00 0.00 61.69 58.61 2wcg s THR 36 Cb 0.00 -2.75 -0.04 0.00 1.34 0.00 0.00 72.50 71.05 2wcg s THR 36 CO 0.00 -0.32 -0.11 0.72 -0.54 0.00 0.00 174.62 174.37 2wcg s PHE 37 N -2.41 2.57 -0.08 3.99 -0.12 -0.06 -4.62 117.98 117.25 2wcg s PHE 37 Ca 0.32 -0.25 -0.05 0.00 -0.05 0.00 0.00 56.93 56.91 2wcg s PHE 37 Cb -0.04 -1.22 -0.04 0.00 -0.63 0.00 0.00 43.02 41.08 2wcg s PHE 37 CO 0.19 0.55 0.13 -1.12 -0.05 0.00 0.00 175.22 174.92 2wcg s SER 38 N -3.01 6.17 -0.09 1.98 0.01 -0.06 -2.08 113.70 116.62 2wcg s SER 38 Ca 0.26 0.37 0.02 0.00 1.31 0.00 0.00 55.95 57.90 2wcg s SER 38 Cb -0.08 -1.93 0.01 0.00 0.21 0.00 0.00 66.02 64.23 2wcg s SER 38 CO 0.15 0.35 -0.14 -0.60 0.41 0.00 0.00 173.24 173.41 2wcg s ARG 39 N -1.31 2.07 -0.13 12.44 3.52 0.01 -1.09 118.95 134.46 2wcg s ARG 39 Ca 0.19 -0.52 -0.06 0.00 -0.13 0.00 0.00 55.73 55.21 2wcg s ARG 39 Cb -0.12 -1.73 -0.04 0.00 -1.56 0.00 0.00 34.95 31.50 2wcg s ARG 39 CO 0.09 -0.02 0.08 0.71 -0.81 0.00 0.00 175.30 175.34 2wcg s TYR 40 N 0.86 3.36 -0.01 5.12 1.51 0.06 -0.81 117.35 127.44 2wcg s TYR 40 Ca -0.10 0.28 0.03 0.00 -1.01 0.00 0.00 57.07 56.27 2wcg s TYR 40 Cb -0.15 -1.95 -0.01 0.00 -0.11 0.00 0.00 41.96 39.74 2wcg s TYR 40 CO 0.01 0.46 -0.10 -2.00 -1.11 0.00 0.00 175.55 172.81 2wcg s GLU 41 N -0.49 0.81 -0.02 -0.62 2.12 0.04 -1.17 118.70 119.36 2wcg s GLU 41 Ca 0.10 -0.34 0.02 0.00 0.36 0.00 0.00 54.97 55.11 2wcg s GLU 41 Cb -0.12 -0.78 0.00 0.00 0.26 0.00 0.00 34.13 33.50 2wcg s GLU 41 CO 0.02 0.20 -0.08 -1.12 -0.54 0.00 0.00 175.26 173.74 2wcg s SER 42 N -0.18 1.09 0.12 -1.70 0.01 -0.41 -0.77 113.70 111.87 2wcg s SER 42 Ca 0.03 -0.17 0.06 0.00 1.31 0.00 0.00 55.95 57.19 2wcg s SER 42 Cb -0.04 -0.30 -0.04 0.00 0.21 0.00 0.00 66.02 65.85 2wcg s SER 42 CO -0.00 0.05 -0.15 0.42 0.41 0.00 0.00 173.24 173.97 2wcg s THR 43 N 0.23 1.42 0.28 1.44 -4.23 -0.76 -1.19 115.64 112.84 2wcg s THR 43 Ca -0.03 -1.71 0.01 0.00 -1.18 0.00 0.00 61.69 58.78 2wcg s THR 43 Cb -0.08 -1.55 0.28 0.00 1.34 0.00 0.00 72.50 72.49 2wcg s THR 43 CO 0.00 -0.36 1.84 -0.09 -0.54 0.00 0.00 174.62 175.47 2wcg h ARG 44 N 3.56 0.97 0.00 3.99 2.43 -1.87 -2.03 114.38 121.44 2wcg h ARG 44 Ca -0.41 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 58.70 2wcg h ARG 44 Cb 1.20 -0.22 0.00 0.00 -0.42 0.00 0.00 29.97 30.53 2wcg h ARG 44 CO 0.49 0.65 0.00 -1.13 -1.51 0.00 0.00 179.97 178.47 2wcg n SER 45 N -4.60 0.00 0.00 -3.80 3.41 -1.26 -4.54 113.62 102.82 2wcg n SER 45 Ca 0.18 0.32 0.00 0.00 -0.26 0.00 0.00 58.87 59.11 2wcg n SER 45 Cb 0.34 -0.36 0.00 0.00 -0.26 0.00 0.00 64.21 63.93 2wcg n SER 45 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2wcg n GLY 46 N -0.97 1.22 3.77 5.00 0.00 -0.76 -5.01 105.19 108.43 2wcg n GLY 46 Ca 0.02 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.63 2wcg n GLY 46 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 2wcg s ARG 47 N 0.00 4.41 -0.29 1.61 0.52 -1.23 -4.84 118.95 119.12 2wcg s ARG 47 Ca 0.00 2.14 -0.01 0.00 -0.52 0.00 0.00 55.73 57.34 2wcg s ARG 47 Cb 0.00 -3.10 0.09 0.00 0.52 0.00 0.00 34.95 32.46 2wcg s ARG 47 CO 0.00 -0.12 0.08 1.03 0.02 0.00 0.00 175.30 176.30 2wcg s ARG 48 N -1.62 0.78 -1.68 3.54 1.81 -1.25 -1.82 118.95 118.70 2wcg s ARG 48 Ca 0.49 -0.98 -0.13 0.00 -1.72 0.00 0.00 55.73 53.39 2wcg s ARG 48 Cb -0.38 -2.07 0.12 0.00 -0.45 0.00 0.00 34.95 32.17 2wcg s ARG 48 CO 0.50 -0.91 0.46 -1.33 -0.68 0.00 0.00 175.30 173.35 2wcg n MET 49 N 4.86 -1.77 -2.13 3.54 2.81 -0.67 -4.90 117.12 118.85 2wcg n MET 49 Ca -0.04 0.22 -0.42 0.00 -1.81 0.00 0.00 57.70 55.66 2wcg n MET 49 Cb 0.43 -4.49 -0.03 0.00 -0.71 0.00 0.00 33.22 28.42 2wcg n MET 49 CO 0.00 0.00 0.00 -1.21 1.51 0.00 0.00 175.97 176.27 2wcg s GLU 50 N -7.11 4.30 0.01 0.03 2.02 0.05 -4.59 118.70 113.42 2wcg s GLU 50 Ca 0.47 2.12 -0.21 0.00 0.02 0.00 0.00 54.97 57.38 2wcg s GLU 50 Cb -0.27 -3.23 -0.06 0.00 0.10 0.00 0.00 34.13 30.68 2wcg s GLU 50 CO 0.98 -0.46 0.61 -1.17 0.02 0.00 0.00 175.26 175.23 2wcg s LEU 51 N 1.05 4.44 0.31 1.80 2.96 -1.26 -0.78 118.68 127.19 2wcg s LEU 51 Ca 0.65 1.21 -0.06 0.00 -0.22 0.00 0.00 54.13 55.71 2wcg s LEU 51 Cb -0.38 -2.95 0.00 0.00 0.50 0.00 0.00 46.19 43.36 2wcg s LEU 51 CO 0.31 0.12 0.47 -0.94 -1.32 0.00 0.00 176.35 174.99 2wcg s SER 52 N -0.34 0.50 0.05 3.68 1.04 0.01 -4.99 113.70 113.65 2wcg s SER 52 Ca 0.31 -1.29 -0.02 0.00 0.48 0.00 0.00 55.95 55.43 2wcg s SER 52 Cb -0.19 0.63 -0.03 0.00 0.10 0.00 0.00 66.02 66.54 2wcg s SER 52 CO 0.18 -1.25 0.01 -0.04 0.98 0.00 0.00 173.24 173.13 2wcg s MET 53 N -3.37 0.60 0.32 4.02 -1.94 -1.26 -0.81 119.30 116.86 2wcg s MET 53 Ca 0.28 -1.05 -0.07 0.00 -1.71 0.00 0.00 55.69 53.14 2wcg s MET 53 Cb -0.00 0.22 0.01 0.00 2.01 0.00 0.00 34.83 37.06 2wcg s MET 53 CO 0.16 -0.13 0.51 0.20 -0.01 0.00 0.00 175.02 175.75 2wcg s GLY 54 N -2.62 1.11 0.05 -0.03 0.00 -0.88 -4.98 107.32 99.96 2wcg s GLY 54 Ca 0.02 -1.26 -0.11 0.00 0.00 0.00 0.00 44.72 43.37 2wcg s GLY 54 CO -0.08 -0.83 0.39 2.56 0.00 0.00 0.00 173.10 175.15 2wcg s PRO 55 N -3.21 3.79 -0.17 2.90 0.04 -1.26 -0.88 135.00 136.20 2wcg s PRO 55 Ca 0.27 0.22 -0.21 0.00 0.04 0.00 0.00 61.00 61.33 2wcg s PRO 55 Cb -0.01 -3.06 -0.03 0.00 0.04 0.00 0.00 34.50 31.44 2wcg s PRO 55 CO 0.16 0.60 0.61 0.42 0.04 0.00 0.00 177.00 178.83 2wcg s ILE 56 N -1.31 5.05 0.21 0.56 1.01 -0.45 -4.56 121.20 121.72 2wcg s ILE 56 Ca 0.30 1.16 -0.04 0.00 0.00 0.00 0.00 60.65 62.08 2wcg s ILE 56 Cb -0.15 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.34 2wcg s ILE 56 CO 0.16 0.16 0.45 -1.10 0.00 0.00 0.00 174.94 174.61 2wcg s GLN 57 N 1.62 3.60 0.09 2.79 -1.52 0.53 -4.85 119.66 121.92 2wcg s GLN 57 Ca 0.29 -0.11 -0.04 0.00 -1.95 0.00 0.00 55.36 53.54 2wcg s GLN 57 Cb -0.16 -2.77 -0.22 0.00 -0.22 0.00 0.00 33.01 29.64 2wcg s GLN 57 CO 0.11 0.36 1.20 0.00 -0.25 0.00 0.00 175.29 176.71 2wcg h ALA 58 N 2.21 0.19 -1.92 6.09 0.00 -1.89 0.22 119.26 124.15 2wcg h ALA 58 Ca -0.47 -0.82 -0.53 0.00 0.00 0.00 0.00 54.91 53.09 2wcg h ALA 58 Cb 1.18 0.00 -0.14 0.00 0.00 0.00 0.00 17.79 18.84 2wcg h ALA 58 CO 0.69 0.92 -0.62 0.54 0.00 0.00 0.00 179.25 180.78 2wcg s ASN 59 N -7.13 2.94 -0.12 0.00 4.22 -1.26 -4.74 114.94 108.85 2wcg s ASN 59 Ca -0.05 -1.34 -0.11 0.00 -2.14 0.00 0.00 52.86 49.22 2wcg s ASN 59 Cb 0.08 -0.20 0.03 0.00 1.28 0.00 0.00 41.25 42.44 2wcg s ASN 59 CO 0.88 -0.51 0.33 -2.28 -2.04 0.00 0.00 177.10 173.48 2wcg s HIS 60 N -3.05 -0.36 0.02 1.54 5.04 -1.26 -4.84 115.29 112.37 2wcg s HIS 60 Ca 0.35 0.89 0.01 0.00 -1.54 0.00 0.00 55.06 54.77 2wcg s HIS 60 Cb 0.08 0.12 -0.01 0.00 0.04 0.00 0.00 32.58 32.81 2wcg s HIS 60 CO 0.16 -0.18 -0.05 0.99 -2.34 0.00 0.00 174.74 173.32 2wcg s THR 61 N 0.20 0.39 0.00 0.89 2.01 -1.26 -5.14 115.64 112.72 2wcg s THR 61 Ca -0.00 -0.57 0.00 0.00 0.31 0.00 0.00 61.69 61.43 2wcg s THR 61 Cb -0.02 -0.40 0.00 0.00 0.01 0.00 0.00 72.50 72.09 2wcg s THR 61 CO 0.00 -0.13 0.00 0.61 -0.69 0.00 0.00 174.62 174.41 2wcg n GLY 62 N 2.31 3.13 1.55 4.40 0.00 -1.26 -4.90 105.19 110.41 2wcg n GLY 62 Ca -0.17 -1.74 0.09 0.00 0.00 0.00 0.00 46.02 44.19 2wcg n GLY 62 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 2wcg n THR 63 N -2.00 2.08 -1.34 2.61 -2.24 -1.26 -5.01 114.28 107.12 2wcg n THR 63 Ca 0.00 -1.31 -0.30 0.00 -2.27 0.00 0.00 64.05 60.17 2wcg n THR 63 Cb 0.00 0.01 0.13 0.00 -2.10 0.00 0.00 70.33 68.37 2wcg n THR 63 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 2wcg s GLY 64 N -0.99 1.61 -0.29 3.38 0.00 -1.26 -4.92 107.32 104.84 2wcg s GLY 64 Ca 0.50 -0.20 -0.40 0.00 0.00 0.00 0.00 44.72 44.62 2wcg s GLY 64 CO 0.21 0.30 1.76 -0.10 0.00 0.00 0.00 173.10 175.26 2wcg n LEU 65 N -3.78 2.36 -4.38 0.66 7.94 -1.26 -4.92 117.00 113.63 2wcg n LEU 65 Ca 0.07 1.06 -0.33 0.00 -1.11 0.00 0.00 56.01 55.70 2wcg n LEU 65 Cb 0.56 -1.13 -0.14 0.00 0.53 0.00 0.00 43.42 43.24 2wcg n LEU 65 CO 0.56 -0.44 -0.45 -0.22 -1.11 0.00 0.00 177.39 175.74 2wcg s LEU 66 N 3.65 2.72 -0.22 -1.96 2.96 -1.26 -1.70 118.68 122.86 2wcg s LEU 66 Ca 0.99 -0.32 -0.06 0.00 -0.22 0.00 0.00 54.13 54.52 2wcg s LEU 66 Cb -1.08 -1.61 -0.03 0.00 0.50 0.00 0.00 46.19 43.97 2wcg s LEU 66 CO 0.66 0.17 0.03 -0.76 -1.32 0.00 0.00 176.35 175.14 2wcg s LEU 67 N 0.30 3.35 -0.27 -0.68 1.43 0.54 -1.26 118.68 122.09 2wcg s LEU 67 Ca -0.10 -0.20 -0.06 0.00 -1.03 0.00 0.00 54.13 52.74 2wcg s LEU 67 Cb -0.16 -1.87 -0.00 0.00 0.03 0.00 0.00 46.19 44.19 2wcg s LEU 67 CO 0.06 0.02 0.04 -0.89 0.23 0.00 0.00 176.35 175.81 2wcg s THR 68 N 1.27 3.84 0.34 5.49 2.01 0.46 -0.24 115.64 128.82 2wcg s THR 68 Ca 0.04 -0.56 -0.29 0.00 0.31 0.00 0.00 61.69 61.19 2wcg s THR 68 Cb -0.15 -2.89 -0.12 0.00 0.01 0.00 0.00 72.50 69.35 2wcg s THR 68 CO 0.02 0.21 1.47 0.18 -0.69 0.00 0.00 174.62 175.81 2wcg n LEU 69 N 4.85 4.32 -3.90 4.42 4.32 -0.49 -1.41 117.00 129.11 2wcg n LEU 69 Ca -0.16 1.20 -0.28 0.00 -0.02 0.00 0.00 56.01 56.75 2wcg n LEU 69 Cb 0.49 -1.57 -0.12 0.00 -1.62 0.00 0.00 43.42 40.60 2wcg n LEU 69 CO 0.30 -0.02 -0.05 -1.10 -1.22 0.00 0.00 177.39 175.31 2wcg s GLN 70 N -1.57 2.41 0.03 3.23 -0.21 -0.05 -4.53 119.66 118.96 2wcg s GLN 70 Ca 0.57 -3.28 0.11 0.00 0.02 0.00 0.00 55.36 52.78 2wcg s GLN 70 Cb -0.51 -3.38 0.49 0.00 1.00 0.00 0.00 33.01 30.60 2wcg s GLN 70 CO 0.59 -1.27 1.36 -0.35 -2.12 0.00 0.00 175.29 173.49 2wcg n PRO 71 N 2.06 0.02 0.03 2.91 -0.04 -1.26 -1.68 135.00 137.03 2wcg n PRO 71 Ca 0.19 0.34 0.11 0.00 -0.04 0.00 0.00 63.50 64.10 2wcg n PRO 71 Cb 0.35 -1.54 -0.05 0.00 -0.04 0.00 0.00 33.50 32.22 2wcg n PRO 71 CO 0.00 0.00 0.00 -0.85 -0.04 0.00 0.00 175.50 174.61 2wcg n GLU 72 N -1.57 0.42 -2.45 0.54 0.00 -1.26 -4.69 120.64 111.62 2wcg n GLU 72 Ca 0.02 -0.04 -0.43 0.00 0.00 0.00 0.00 57.16 56.71 2wcg n GLU 72 Cb 0.12 -1.60 -0.02 0.00 0.00 0.00 0.00 31.44 29.94 2wcg n GLU 72 CO 0.00 0.00 0.00 -0.65 0.00 0.00 0.00 177.13 176.48 2wcg s GLN 73 N -3.30 3.63 -0.15 3.44 -1.52 -0.68 -5.02 119.66 116.06 2wcg s GLN 73 Ca 0.00 0.78 -0.02 0.00 -1.95 0.00 0.00 55.36 54.17 2wcg s GLN 73 Cb 0.14 -3.98 -0.02 0.00 -0.22 0.00 0.00 33.01 28.93 2wcg s GLN 73 CO 0.84 -1.50 -0.09 0.15 -0.25 0.00 0.00 175.29 174.44 2wcg s LYS 74 N 4.76 3.48 0.00 2.91 -0.14 -1.26 -2.16 119.74 127.32 2wcg s LYS 74 Ca 0.56 -0.62 0.00 0.00 -1.36 0.00 0.00 55.97 54.55 2wcg s LYS 74 Cb -0.11 -2.79 0.00 0.00 -1.68 0.00 0.00 37.83 33.26 2wcg s LYS 74 CO 0.32 0.16 0.00 1.19 -0.76 0.00 0.00 175.35 176.27 2wcg n PHE 75 N 3.71 0.00 -2.81 3.18 3.01 0.09 -5.02 117.46 119.63 2wcg n PHE 75 Ca -0.18 0.00 -0.32 0.00 1.01 0.00 0.00 57.45 57.97 2wcg n PHE 75 Cb 0.52 0.00 -0.04 0.00 -0.01 0.00 0.00 39.48 39.95 2wcg n PHE 75 CO 0.00 0.00 0.00 1.14 1.01 0.00 0.00 176.76 178.91 2wcg s GLN 76 N 4.20 3.92 0.21 -1.08 0.00 -1.26 -4.63 119.66 121.01 2wcg s GLN 76 Ca 0.00 0.70 -0.18 0.00 -0.00 0.00 0.00 55.36 55.88 2wcg s GLN 76 Cb 0.00 -2.32 -0.08 0.00 0.00 0.00 0.00 33.01 30.61 2wcg s GLN 76 CO 0.00 -0.04 0.68 0.15 0.00 0.00 0.00 175.29 176.08 2wcg s LYS 77 N -3.62 4.18 -0.10 9.60 1.02 -1.26 -1.10 119.74 128.45 2wcg s LYS 77 Ca 0.55 0.77 -0.20 0.00 0.02 0.00 0.00 55.97 57.11 2wcg s LYS 77 Cb -0.10 -2.88 -0.04 0.00 -0.52 0.00 0.00 37.83 34.29 2wcg s LYS 77 CO 0.26 0.41 0.55 0.08 -0.92 0.00 0.00 175.35 175.73 2wcg s VAL 78 N -1.52 5.14 -0.10 3.17 1.01 0.16 -4.71 120.40 123.55 2wcg s VAL 78 Ca 0.42 1.12 -0.23 0.00 0.00 0.00 0.00 61.98 63.29 2wcg s VAL 78 Cb -0.16 -3.89 -0.19 0.00 0.00 0.00 0.00 36.38 32.13 2wcg s VAL 78 CO 0.20 0.30 0.75 0.50 0.00 0.00 0.00 175.10 176.85 2wcg h LYS 79 N 6.75 -0.05 0.00 2.72 1.63 -0.67 0.60 116.57 127.56 2wcg h LYS 79 Ca -0.41 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 59.40 2wcg h LYS 79 Cb 1.18 0.01 0.00 0.00 -0.60 0.00 0.00 32.23 32.82 2wcg h LYS 79 CO 0.76 0.62 0.00 0.41 -3.45 0.00 0.00 179.45 177.78 2wcg n GLY 80 N 1.23 0.17 3.04 5.01 0.00 -1.13 -4.29 105.19 109.21 2wcg n GLY 80 Ca -0.08 -1.63 -0.14 0.00 0.00 0.00 0.00 46.02 44.17 2wcg n GLY 80 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wcg s PHE 81 N -2.56 0.63 0.00 1.61 0.40 -1.26 -2.01 117.98 114.79 2wcg s PHE 81 Ca 0.00 -0.38 0.00 0.00 -0.60 0.00 0.00 56.93 55.95 2wcg s PHE 81 Cb 0.00 -0.38 0.00 0.00 0.51 0.00 0.00 43.02 43.15 2wcg s PHE 81 CO 0.00 -0.06 0.00 0.41 0.70 0.00 0.00 175.22 176.27 2wcg n GLY 82 N 1.87 1.70 1.50 4.36 0.00 -1.11 -1.18 105.19 112.33 2wcg n GLY 82 Ca -0.20 -0.49 -0.05 0.00 0.00 0.00 0.00 46.02 45.28 2wcg n GLY 82 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wcg n GLY 83 N 0.00 2.12 3.63 -0.02 0.00 -1.04 -0.49 105.19 109.38 2wcg n GLY 83 Ca 0.00 -1.29 -0.35 0.00 0.00 0.00 0.00 46.02 44.38 2wcg n GLY 83 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcg s ALA 84 N -1.76 3.28 -1.16 4.61 0.00 0.34 -0.59 121.76 126.49 2wcg s ALA 84 Ca 0.09 -0.78 -0.09 0.00 0.00 0.00 0.00 51.96 51.19 2wcg s ALA 84 Cb -0.01 -1.67 0.25 0.00 0.00 0.00 0.00 23.12 21.68 2wcg s ALA 84 CO 0.07 0.36 1.41 -0.12 0.00 0.00 0.00 175.76 177.48 2wcg n MET 85 N 2.96 3.77 -1.55 0.00 1.56 0.81 -1.79 117.12 122.89 2wcg n MET 85 Ca -0.18 -4.20 -0.30 0.00 -0.27 0.00 0.00 57.70 52.76 2wcg n MET 85 Cb 0.53 -2.71 0.10 0.00 2.15 0.00 0.00 33.22 33.29 2wcg n MET 85 CO 0.00 0.00 0.00 0.95 -0.73 0.00 0.00 175.97 176.19 2wcg s THR 86 N -0.79 2.84 0.19 1.12 -4.23 -1.26 -4.42 115.64 109.09 2wcg s THR 86 Ca 0.35 0.27 -0.12 0.00 -1.18 0.00 0.00 61.69 61.01 2wcg s THR 86 Cb -0.01 -3.02 0.13 0.00 1.34 0.00 0.00 72.50 70.94 2wcg s THR 86 CO 0.00 -0.36 1.71 0.44 -0.54 0.00 0.00 174.62 175.87 2wcg h ASP 87 N -1.17 -0.05 -0.58 3.99 3.32 -1.94 -1.35 116.42 118.64 2wcg h ASP 87 Ca -0.48 0.10 0.00 0.00 0.02 0.00 0.00 57.03 56.68 2wcg h ASP 87 Cb 1.28 0.15 -0.03 0.00 0.22 0.00 0.00 39.33 40.95 2wcg h ASP 87 CO 0.60 -0.00 0.38 0.00 -1.72 0.00 0.00 179.24 178.49 2wcg h ALA 88 N 1.42 0.74 -0.41 3.45 0.00 -1.70 -0.06 119.26 122.70 2wcg h ALA 88 Ca 0.27 -0.05 0.02 0.00 0.00 0.00 0.00 54.91 55.14 2wcg h ALA 88 Cb 0.38 -0.24 -0.03 0.00 0.00 0.00 0.00 17.79 17.90 2wcg h ALA 88 CO -0.37 0.19 0.24 0.00 0.00 0.00 0.00 179.25 179.31 2wcg h ALA 89 N 1.20 0.52 -0.54 0.00 0.00 -1.60 -1.38 119.26 117.46 2wcg h ALA 89 Ca 0.21 -0.01 -0.04 0.00 0.00 0.00 0.00 54.91 55.08 2wcg h ALA 89 Cb -0.07 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 2wcg h ALA 89 CO -0.04 -0.09 0.18 0.00 0.00 0.00 0.00 179.25 179.29 2wcg h ALA 90 N 1.19 0.71 -0.22 0.00 0.00 -0.73 -0.98 119.26 119.22 2wcg h ALA 90 Ca 0.17 -0.19 -0.11 0.00 0.00 0.00 0.00 54.91 54.78 2wcg h ALA 90 Cb 0.02 -0.21 -0.01 0.00 0.00 0.00 0.00 17.79 17.58 2wcg h ALA 90 CO -0.08 0.36 -0.33 -0.07 0.00 0.00 0.00 179.25 179.12 2wcg h LEU 91 N 0.75 0.48 -0.29 0.00 3.38 -0.90 -1.30 115.31 117.43 2wcg h LEU 91 Ca 0.18 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.89 2wcg h LEU 91 Cb 0.26 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 40.87 2wcg h LEU 91 CO -0.01 0.79 -0.09 0.78 0.09 0.00 0.00 178.44 180.00 2wcg h ASN 92 N 0.40 0.58 -0.41 -0.43 2.35 -1.04 -2.68 115.58 114.36 2wcg h ASN 92 Ca 0.05 -0.38 -0.10 0.00 -0.55 0.00 0.00 56.30 55.32 2wcg h ASN 92 Cb 0.78 -0.16 -0.01 0.00 0.05 0.00 0.00 38.32 38.98 2wcg h ASN 92 CO 0.06 0.83 -0.13 0.40 -1.65 0.00 0.00 177.43 176.95 2wcg h ILE 93 N 0.33 1.28 0.00 2.81 2.04 -0.94 -2.34 117.51 120.69 2wcg h ILE 93 Ca 0.07 -1.24 0.00 0.00 1.00 0.00 0.00 64.86 64.69 2wcg h ILE 93 Cb 0.59 1.23 0.00 0.00 -0.74 0.00 0.00 36.82 37.90 2wcg h ILE 93 CO 0.03 0.42 0.00 0.18 0.00 0.00 0.00 178.15 178.78 2wcg n LEU 94 N -4.30 0.00 -0.14 1.44 4.77 -0.51 -2.43 117.00 115.83 2wcg n LEU 94 Ca -0.01 0.12 0.12 0.00 -0.03 0.00 0.00 56.01 56.21 2wcg n LEU 94 Cb 0.38 -0.12 0.30 0.00 -2.33 0.00 0.00 43.42 41.65 2wcg n LEU 94 CO 0.43 -0.05 0.54 0.00 -1.33 0.00 0.00 177.39 176.98 2wcg n ALA 95 N -1.12 3.34 -1.89 -1.18 0.00 -0.88 -4.87 120.51 113.91 2wcg n ALA 95 Ca 0.12 -0.40 -0.31 0.00 0.00 0.00 0.00 53.44 52.85 2wcg n ALA 95 Cb 0.10 -1.11 0.01 0.00 0.00 0.00 0.00 19.45 18.45 2wcg n ALA 95 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 2wcg s LEU 96 N -2.72 3.26 0.68 0.00 1.43 -1.02 -4.90 118.68 115.41 2wcg s LEU 96 Ca 0.18 1.40 -0.16 0.00 -1.03 0.00 0.00 54.13 54.52 2wcg s LEU 96 Cb 0.18 -4.44 0.01 0.00 0.03 0.00 0.00 46.19 41.97 2wcg s LEU 96 CO 0.61 -0.85 1.17 -0.94 0.23 0.00 0.00 176.35 176.57 2wcg s SER 97 N -4.14 4.71 0.44 2.29 1.04 -1.26 -4.72 113.70 112.06 2wcg s SER 97 Ca 0.55 2.24 0.15 0.00 0.48 0.00 0.00 55.95 59.36 2wcg s SER 97 Cb -0.11 -2.58 1.07 0.00 0.10 0.00 0.00 66.02 64.51 2wcg s SER 97 CO 0.53 -1.91 1.98 -0.65 0.98 0.00 0.00 173.24 174.17 2wcg h PRO 98 N 0.06 0.35 -0.51 4.02 0.11 -1.96 -1.19 132.00 132.88 2wcg h PRO 98 Ca -0.48 -0.02 -0.12 0.00 0.11 0.00 0.00 66.00 65.49 2wcg h PRO 98 Cb 1.28 -0.08 -0.02 0.00 0.11 0.00 0.00 31.00 32.29 2wcg h PRO 98 CO 0.52 0.23 -0.15 -1.35 -0.21 0.00 0.00 178.00 177.04 2wcg h PRO 99 N 0.36 1.01 -0.57 1.05 0.11 -1.91 -1.64 132.00 130.42 2wcg h PRO 99 Ca 0.28 -0.40 -0.09 0.00 0.11 0.00 0.00 66.00 65.90 2wcg h PRO 99 Cb 0.61 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.65 2wcg h PRO 99 CO -0.07 1.08 0.01 0.00 -0.21 0.00 0.00 178.00 178.81 2wcg h ALA 100 N 0.90 0.93 -0.66 -0.75 0.00 -1.46 -2.00 119.26 116.22 2wcg h ALA 100 Ca 0.13 -0.29 0.07 0.00 0.00 0.00 0.00 54.91 54.82 2wcg h ALA 100 Cb 0.73 -0.22 -0.06 0.00 0.00 0.00 0.00 17.79 18.24 2wcg h ALA 100 CO 0.06 0.64 0.34 1.96 0.00 0.00 0.00 179.25 182.25 2wcg h GLN 101 N 0.91 0.59 -0.46 0.00 4.20 -1.05 -0.70 115.11 118.60 2wcg h GLN 101 Ca 0.17 -0.04 -0.13 0.00 0.06 0.00 0.00 58.65 58.72 2wcg h GLN 101 Cb 0.52 -0.13 -0.01 0.00 0.30 0.00 0.00 27.48 28.15 2wcg h GLN 101 CO 0.03 0.39 -0.21 -0.91 -0.67 0.00 0.00 178.83 177.46 2wcg h ASN 102 N 0.61 0.95 -0.95 1.46 2.35 -0.98 -0.96 115.58 118.06 2wcg h ASN 102 Ca 0.31 -0.35 0.02 0.00 -0.55 0.00 0.00 56.30 55.74 2wcg h ASN 102 Cb 0.27 -0.26 -0.05 0.00 0.05 0.00 0.00 38.32 38.32 2wcg h ASN 102 CO -0.22 1.12 0.62 -0.07 -1.65 0.00 0.00 177.43 177.23 2wcg h LEU 103 N 0.80 1.05 -0.34 1.61 3.38 -0.90 0.16 115.31 121.07 2wcg h LEU 103 Ca 0.11 -0.02 -0.09 0.00 0.09 0.00 0.00 57.88 57.98 2wcg h LEU 103 Cb 0.77 -0.25 -0.01 0.00 0.09 0.00 0.00 40.66 41.26 2wcg h LEU 103 CO 0.06 0.74 -0.12 0.25 0.09 0.00 0.00 178.44 179.46 2wcg h LEU 104 N 1.23 0.70 -0.77 1.67 6.46 -0.66 -0.23 115.31 123.70 2wcg h LEU 104 Ca 0.36 -0.39 -0.11 0.00 -0.12 0.00 0.00 57.88 57.62 2wcg h LEU 104 Cb -0.06 -0.19 -0.01 0.00 -0.73 0.00 0.00 40.66 39.67 2wcg h LEU 104 CO -0.10 0.92 -0.30 -0.07 -0.62 0.00 0.00 178.44 178.27 2wcg h LEU 105 N 0.46 0.61 -0.80 2.25 3.38 -1.03 -3.02 115.31 117.16 2wcg h LEU 105 Ca 0.08 -0.23 -0.08 0.00 0.09 0.00 0.00 57.88 57.74 2wcg h LEU 105 Cb 0.64 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 41.20 2wcg h LEU 105 CO 0.04 0.88 0.01 0.11 0.09 0.00 0.00 178.44 179.57 2wcg h LYS 106 N 0.51 0.92 -0.77 1.13 1.57 -0.52 -0.31 116.57 119.09 2wcg h LYS 106 Ca 0.06 -0.26 0.17 0.00 -1.87 0.00 0.00 60.65 58.75 2wcg h LYS 106 Cb 0.78 -0.10 -0.11 0.00 0.08 0.00 0.00 32.23 32.87 2wcg h LYS 106 CO 0.06 0.90 0.21 0.77 -0.57 0.00 0.00 179.45 180.82 2wcg h SER 107 N 0.85 0.05 0.08 0.86 0.02 -0.92 -2.46 113.55 112.03 2wcg h SER 107 Ca 0.16 0.15 -0.11 0.00 -0.84 0.00 0.00 61.79 61.15 2wcg h SER 107 Cb 0.49 0.19 0.01 0.00 0.14 0.00 0.00 62.40 63.23 2wcg h SER 107 CO 0.02 -0.04 -0.49 1.88 -1.14 0.00 0.00 176.83 177.06 2wcg h TYR 108 N 0.29 0.31 0.00 3.45 0.99 -1.41 0.11 116.97 120.70 2wcg h TYR 108 Ca 0.44 -0.23 -0.11 0.00 2.00 0.00 0.00 58.73 60.84 2wcg h TYR 108 Cb 0.78 -0.01 -0.02 0.00 1.00 0.00 0.00 36.73 38.47 2wcg h TYR 108 CO -0.25 1.19 -1.71 1.19 -0.00 0.00 0.00 178.16 178.59 2wcg n PHE 109 N -4.32 0.00 -2.23 4.88 3.01 -0.15 -1.06 117.46 117.59 2wcg n PHE 109 Ca -0.13 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.07 2wcg n PHE 109 Cb 0.68 -0.44 0.11 0.00 -0.01 0.00 0.00 39.48 39.82 2wcg n PHE 109 CO 0.00 0.00 0.00 -1.54 1.01 0.00 0.00 176.76 176.23 2wcg s SER 110 N -3.97 4.21 0.44 4.37 1.04 -0.93 -2.00 113.70 116.84 2wcg s SER 110 Ca -0.05 0.17 0.24 0.00 0.48 0.00 0.00 55.95 56.79 2wcg s SER 110 Cb 0.06 -0.58 0.87 0.00 0.10 0.00 0.00 66.02 66.47 2wcg s SER 110 CO 0.52 -1.99 1.80 1.05 0.98 0.00 0.00 173.24 175.60 2wcg h GLU 111 N -0.87 0.00 0.00 4.02 9.09 -1.85 -0.96 114.58 124.01 2wcg h GLU 111 Ca -0.42 0.00 0.00 0.00 0.05 0.00 0.00 59.36 58.99 2wcg h GLU 111 Cb 1.28 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 28.38 2wcg h GLU 111 CO 0.48 0.22 0.00 0.39 0.05 0.00 0.00 179.01 180.16 2wcg n GLU 112 N -3.35 0.01 0.00 1.06 1.02 -1.26 -4.82 120.64 113.30 2wcg n GLU 112 Ca 0.00 0.05 0.00 0.00 -0.02 0.00 0.00 57.16 57.19 2wcg n GLU 112 Cb 0.45 -1.51 0.00 0.00 -0.02 0.00 0.00 31.44 30.35 2wcg n GLU 112 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 2wcg n GLY 113 N 1.27 3.47 1.23 0.62 0.00 -0.37 -1.91 105.19 109.50 2wcg n GLY 113 Ca 0.06 -1.75 0.10 0.00 0.00 0.00 0.00 46.02 44.43 2wcg n GLY 113 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2wcg n ILE 114 N 0.00 1.29 -2.69 -0.61 -5.35 0.37 -4.88 119.36 107.49 2wcg n ILE 114 Ca 0.00 -1.10 -0.18 0.00 -0.27 0.00 0.00 62.75 61.20 2wcg n ILE 114 Cb 0.00 0.36 0.02 0.00 -1.74 0.00 0.00 39.64 38.28 2wcg n ILE 114 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2wcg n GLY 115 N 1.13 -0.33 3.52 3.28 0.00 -0.87 -2.70 105.19 109.22 2wcg n GLY 115 Ca 0.22 -0.07 -0.44 0.00 0.00 0.00 0.00 46.02 45.74 2wcg n GLY 115 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wcg n TYR 116 N -4.21 0.39 -1.38 1.61 0.53 -0.22 -4.77 117.16 109.11 2wcg n TYR 116 Ca -0.14 0.69 0.02 0.00 -1.02 0.00 0.00 57.90 57.45 2wcg n TYR 116 Cb 0.62 -2.12 0.03 0.00 -1.03 0.00 0.00 39.34 36.84 2wcg n TYR 116 CO 0.00 0.00 0.00 0.27 -1.02 0.00 0.00 176.86 176.11 2wcg n ASN 117 N 1.25 0.66 -3.94 7.72 6.94 -0.32 -4.77 115.26 122.79 2wcg n ASN 117 Ca 0.11 -1.97 -0.18 0.00 -0.02 0.00 0.00 54.58 52.52 2wcg n ASN 117 Cb 0.35 -0.18 -0.15 0.00 -2.36 0.00 0.00 39.78 37.44 2wcg n ASN 117 CO 0.00 0.00 0.00 -0.63 -1.03 0.00 0.00 177.26 175.60 2wcg s ILE 118 N -0.66 0.49 -0.11 1.53 1.01 -0.90 -0.15 121.20 122.41 2wcg s ILE 118 Ca 0.06 -0.20 0.00 0.00 0.00 0.00 0.00 60.65 60.52 2wcg s ILE 118 Cb 0.05 -0.45 0.02 0.00 0.01 0.00 0.00 42.46 42.09 2wcg s ILE 118 CO 0.01 0.17 -0.09 -0.63 0.00 0.00 0.00 174.94 174.39 2wcg s ILE 119 N 0.28 1.09 -0.06 2.92 1.01 -0.24 -2.50 121.20 123.69 2wcg s ILE 119 Ca -0.03 -0.35 -0.16 0.00 0.00 0.00 0.00 60.65 60.11 2wcg s ILE 119 Cb -0.07 -1.08 -0.05 0.00 0.01 0.00 0.00 42.46 41.27 2wcg s ILE 119 CO -0.00 0.37 0.41 -0.60 0.00 0.00 0.00 174.94 175.12 2wcg s ARG 120 N 1.50 4.12 -0.15 2.79 3.52 0.24 -1.20 118.95 129.76 2wcg s ARG 120 Ca 0.01 0.38 0.00 0.00 -0.13 0.00 0.00 55.73 56.00 2wcg s ARG 120 Cb -0.13 -3.33 0.02 0.00 -1.56 0.00 0.00 34.95 29.95 2wcg s ARG 120 CO -0.06 0.44 -0.15 0.08 -0.81 0.00 0.00 175.30 174.80 2wcg s VAL 121 N -0.26 1.63 0.38 7.11 1.01 0.62 -0.13 120.40 130.77 2wcg s VAL 121 Ca 0.23 -0.67 -0.26 0.00 0.00 0.00 0.00 61.98 61.28 2wcg s VAL 121 Cb -0.16 -1.52 -0.09 0.00 0.00 0.00 0.00 36.38 34.62 2wcg s VAL 121 CO 0.11 0.47 1.22 -2.84 0.00 0.00 0.00 175.10 174.06 2wcg s PRO 122 N 1.43 4.11 -0.64 2.72 0.02 -1.26 -2.23 135.00 139.15 2wcg s PRO 122 Ca 0.04 1.98 -0.23 0.00 0.02 0.00 0.00 61.00 62.81 2wcg s PRO 122 Cb -0.13 -2.79 0.06 0.00 0.02 0.00 0.00 34.50 31.66 2wcg s PRO 122 CO -0.10 -0.32 0.98 -1.64 -0.33 0.00 0.00 177.00 175.59 2wcg s MET 123 N -2.15 3.16 3.37 5.54 -1.94 0.69 -4.84 119.30 123.13 2wcg s MET 123 Ca 0.55 -0.66 0.00 0.00 -1.71 0.00 0.00 55.69 53.87 2wcg s MET 123 Cb -0.34 -4.19 0.00 0.00 2.01 0.00 0.00 34.83 32.31 2wcg s MET 123 CO 0.44 -1.77 0.00 0.00 -0.01 0.00 0.00 175.02 173.68 2wcg n ALA 124 N 7.78 0.00 -2.16 3.03 0.00 -1.26 -4.24 120.51 123.65 2wcg n ALA 124 Ca -0.02 0.00 -0.32 0.00 0.00 0.00 0.00 53.44 53.10 2wcg n ALA 124 Cb 0.46 0.00 -0.05 0.00 0.00 0.00 0.00 19.45 19.86 2wcg n ALA 124 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 2wcg s SER 125 N -4.00 6.69 0.00 0.00 1.04 -1.14 -4.91 113.70 111.39 2wcg s SER 125 Ca 0.00 1.23 0.00 0.00 0.48 0.00 0.00 55.95 57.66 2wcg s SER 125 Cb 0.00 -2.35 0.00 0.00 0.10 0.00 0.00 66.02 63.77 2wcg s SER 125 CO 0.00 -0.26 0.00 0.00 0.98 0.00 0.00 173.24 173.96 2wcg h ASP 127 N 0.00 0.11 0.00 0.00 2.03 -1.97 -2.91 116.42 113.68 2wcg h ASP 127 Ca 0.00 -0.07 -0.27 0.00 -0.73 0.00 0.00 57.03 55.96 2wcg h ASP 127 Cb 0.00 -0.03 -0.05 0.00 -0.83 0.00 0.00 39.33 38.42 2wcg h ASP 127 CO 0.00 0.73 0.41 0.49 -1.03 0.00 0.00 179.24 179.83 2wcg n PHE 128 N -3.80 0.44 -4.09 4.15 3.01 -1.26 -2.24 117.46 113.65 2wcg n PHE 128 Ca -0.02 -1.75 -0.12 0.00 1.01 0.00 0.00 57.45 56.57 2wcg n PHE 128 Cb 0.64 -1.73 -0.11 0.00 -0.01 0.00 0.00 39.48 38.27 2wcg n PHE 128 CO 0.00 0.00 0.00 -1.12 1.01 0.00 0.00 176.76 176.65 2wcg s SER 129 N 2.07 0.94 0.01 4.37 0.01 -1.10 -2.06 113.70 117.93 2wcg s SER 129 Ca 0.66 -0.69 0.24 0.00 1.31 0.00 0.00 55.95 57.47 2wcg s SER 129 Cb 0.29 0.05 0.31 0.00 0.21 0.00 0.00 66.02 66.88 2wcg s SER 129 CO -0.01 -0.28 1.27 2.30 0.41 0.00 0.00 173.24 176.93 2wcg n ILE 130 N 1.01 0.02 -4.18 1.44 -5.35 -1.26 -1.88 119.36 109.15 2wcg n ILE 130 Ca -0.20 -0.03 -0.12 0.00 -0.27 0.00 0.00 62.75 62.14 2wcg n ILE 130 Cb 0.56 0.39 -0.10 0.00 -1.74 0.00 0.00 39.64 38.76 2wcg n ILE 130 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 2wcg s ARG 131 N -3.02 1.19 -0.13 6.28 1.70 -1.26 -4.79 118.95 118.92 2wcg s ARG 131 Ca 0.10 -1.59 -0.07 0.00 -0.47 0.00 0.00 55.73 53.69 2wcg s ARG 131 Cb 0.17 0.28 -0.04 0.00 -0.57 0.00 0.00 34.95 34.79 2wcg s ARG 131 CO 0.74 -0.39 0.13 0.95 -1.08 0.00 0.00 175.30 175.66 2wcg s THR 132 N -4.14 5.46 -0.12 4.99 -4.23 -1.26 -4.85 115.64 111.48 2wcg s THR 132 Ca 0.37 0.19 -0.30 0.00 -1.18 0.00 0.00 61.69 60.77 2wcg s THR 132 Cb 0.07 -3.39 0.12 0.00 1.34 0.00 0.00 72.50 70.64 2wcg s THR 132 CO 0.11 0.60 0.98 -0.72 -0.54 0.00 0.00 174.62 175.05 2wcg s TYR 133 N -0.88 -0.36 0.22 3.99 -0.85 -1.26 -5.07 117.35 113.14 2wcg s TYR 133 Ca 0.14 0.51 0.00 0.00 -0.52 0.00 0.00 57.07 57.20 2wcg s TYR 133 Cb -0.12 0.47 -0.00 0.00 0.38 0.00 0.00 41.96 42.70 2wcg s TYR 133 CO 0.03 -0.39 0.01 0.25 -1.52 0.00 0.00 175.55 173.93 2wcg n THR 134 N 0.45 0.00 1.09 -3.49 -2.24 -1.26 -2.87 114.28 105.96 2wcg n THR 134 Ca -0.09 -1.05 0.13 0.00 -2.27 0.00 0.00 64.05 60.76 2wcg n THR 134 Cb 0.59 0.23 0.42 0.00 -2.10 0.00 0.00 70.33 69.46 2wcg n THR 134 CO 0.00 0.00 0.00 -1.22 -0.57 0.00 0.00 175.07 173.28 2wcg n TYR 135 N -0.54 0.00 -3.20 4.78 0.53 -1.26 -4.42 117.16 113.05 2wcg n TYR 135 Ca -0.09 0.00 -0.24 0.00 -1.02 0.00 0.00 57.90 56.56 2wcg n TYR 135 Cb 0.28 -0.29 -0.07 0.00 -1.03 0.00 0.00 39.34 38.23 2wcg n TYR 135 CO 0.00 0.00 0.00 0.00 -1.02 0.00 0.00 176.86 175.84 2wcg n ALA 136 N -1.32 2.37 1.12 -0.72 0.00 -1.26 -1.23 120.51 119.47 2wcg n ALA 136 Ca 0.08 -3.32 0.13 0.00 0.00 0.00 0.00 53.44 50.33 2wcg n ALA 136 Cb 0.33 -0.82 0.35 0.00 0.00 0.00 0.00 19.45 19.30 2wcg n ALA 136 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 177.50 177.25 2wcg n ASP 137 N 1.55 0.66 -4.66 0.00 8.00 -1.26 -4.71 116.55 116.12 2wcg n ASP 137 Ca 0.22 -0.47 -0.42 0.00 0.71 0.00 0.00 54.79 54.82 2wcg n ASP 137 Cb 0.53 0.14 -0.03 0.00 -0.02 0.00 0.00 41.12 41.74 2wcg n ASP 137 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 2wcg s THR 138 N -2.78 3.49 0.24 -3.53 2.01 -1.26 -4.93 115.64 108.88 2wcg s THR 138 Ca 0.17 0.63 -0.30 0.00 0.31 0.00 0.00 61.69 62.50 2wcg s THR 138 Cb 0.18 -3.41 -0.10 0.00 0.01 0.00 0.00 72.50 69.19 2wcg s THR 138 CO 0.61 -0.05 1.43 -2.84 -0.69 0.00 0.00 174.62 173.08 2wcg s PRO 139 N 3.94 4.28 -1.18 4.92 0.02 -1.26 -3.07 135.00 142.65 2wcg s PRO 139 Ca 0.75 2.28 0.00 0.00 0.02 0.00 0.00 61.00 64.04 2wcg s PRO 139 Cb -0.35 -3.12 0.00 0.00 0.02 0.00 0.00 34.50 31.05 2wcg s PRO 139 CO 0.31 -0.41 0.00 -0.25 -0.33 0.00 0.00 177.00 176.32 2wcg n ASP 140 N 2.41 -4.32 -3.09 2.53 8.00 -1.26 -4.90 116.55 115.92 2wcg n ASP 140 Ca 0.07 0.27 -0.27 0.00 0.71 0.00 0.00 54.79 55.56 2wcg n ASP 140 Cb 0.40 -2.82 -0.04 0.00 -0.02 0.00 0.00 41.12 38.65 2wcg n ASP 140 CO 0.00 0.00 0.00 -0.67 -0.39 0.00 0.00 177.20 176.14 2wcg n ASP 141 N 0.19 6.37 0.16 -2.24 2.03 -1.18 -4.66 116.55 117.23 2wcg n ASP 141 Ca -0.11 -2.41 0.16 0.00 0.52 0.00 0.00 54.79 52.94 2wcg n ASP 141 Cb 0.37 -1.28 0.74 0.00 -0.72 0.00 0.00 41.12 40.23 2wcg n ASP 141 CO 0.00 0.00 0.00 -0.26 -1.92 0.00 0.00 177.20 175.02 2wcg h PHE 142 N 5.45 0.00 0.00 -0.67 -1.00 -1.91 0.42 116.94 119.23 2wcg h PHE 142 Ca 0.60 0.00 0.00 0.00 2.81 0.00 0.00 57.97 61.38 2wcg h PHE 142 Cb 0.34 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.90 2wcg h PHE 142 CO 1.89 0.00 0.00 1.96 -1.61 0.00 0.00 178.31 180.55 2wcg h GLN 143 N 0.00 0.00 -5.04 1.51 4.20 -2.01 -3.46 115.11 110.31 2wcg h GLN 143 Ca 0.11 0.00 -0.40 0.00 0.06 0.00 0.00 58.65 58.42 2wcg h GLN 143 Cb 0.51 0.00 0.01 0.00 0.30 0.00 0.00 27.48 28.30 2wcg h GLN 143 CO -0.00 0.00 -0.61 1.28 -0.67 0.00 0.00 178.83 178.83 2wcg n LEU 144 N -2.52 -2.34 0.19 1.46 4.77 0.15 -4.87 117.00 113.84 2wcg n LEU 144 Ca 0.02 -0.38 0.03 0.00 -0.03 0.00 0.00 56.01 55.66 2wcg n LEU 144 Cb 0.30 -2.66 0.41 0.00 -2.33 0.00 0.00 43.42 39.13 2wcg n LEU 144 CO 0.24 0.25 0.80 0.45 -1.33 0.00 0.00 177.39 177.80 2wcg h HIS 145 N -1.39 0.03 -0.60 -1.77 3.86 -1.92 -3.09 115.15 110.27 2wcg h HIS 145 Ca -0.50 -0.01 0.00 0.00 -1.16 0.00 0.00 60.37 58.70 2wcg h HIS 145 Cb 1.34 -0.01 0.00 0.00 1.06 0.00 0.00 27.41 29.80 2wcg h HIS 145 CO 0.58 0.32 0.00 0.09 0.86 0.00 0.00 177.93 179.78 2wcg n ASN 146 N -4.19 5.28 -4.71 2.45 4.13 -1.26 -4.96 115.26 112.00 2wcg n ASN 146 Ca -0.02 -2.72 -0.42 0.00 1.68 0.00 0.00 54.58 53.10 2wcg n ASN 146 Cb 0.34 -0.64 -0.03 0.00 -1.54 0.00 0.00 39.78 37.91 2wcg n ASN 146 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 2wcg s PHE 147 N -2.36 2.99 0.03 3.10 5.36 -1.17 -4.71 117.98 121.22 2wcg s PHE 147 Ca 0.52 0.71 -0.27 0.00 -0.96 0.00 0.00 56.93 56.93 2wcg s PHE 147 Cb 0.37 -3.82 0.07 0.00 -0.34 0.00 0.00 43.02 39.30 2wcg s PHE 147 CO 0.19 -3.03 0.63 -1.54 -1.46 0.00 0.00 175.22 170.01 2wcg s SER 148 N 1.43 -0.59 -0.03 6.13 1.04 -0.36 -5.02 113.70 116.30 2wcg s SER 148 Ca 0.68 0.40 -0.30 0.00 0.48 0.00 0.00 55.95 57.21 2wcg s SER 148 Cb -0.39 0.55 -0.03 0.00 0.10 0.00 0.00 66.02 66.25 2wcg s SER 148 CO 0.31 -0.74 1.07 -0.76 0.98 0.00 0.00 173.24 174.09 2wcg s LEU 149 N -1.80 4.32 0.00 2.42 1.43 -1.26 -4.62 118.68 119.17 2wcg s LEU 149 Ca -0.06 1.72 -0.13 0.00 -1.03 0.00 0.00 54.13 54.63 2wcg s LEU 149 Cb -0.00 -3.57 0.20 0.00 0.03 0.00 0.00 46.19 42.85 2wcg s LEU 149 CO 0.01 -0.41 1.22 -0.81 0.23 0.00 0.00 176.35 176.59 2wcg n PRO 150 N 4.45 -1.01 0.22 1.29 -0.04 -1.26 -4.79 135.00 133.85 2wcg n PRO 150 Ca 0.08 -2.12 0.16 0.00 -0.04 0.00 0.00 63.50 61.58 2wcg n PRO 150 Cb 0.49 -1.18 0.81 0.00 -0.04 0.00 0.00 33.50 33.58 2wcg n PRO 150 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2wcg h GLU 151 N 0.00 0.00 -0.96 0.54 5.08 -1.97 -1.39 114.58 115.88 2wcg h GLU 151 Ca -0.40 0.00 0.15 0.00 -1.00 0.00 0.00 59.36 58.12 2wcg h GLU 151 Cb 1.15 0.00 -0.08 0.00 0.50 0.00 0.00 28.75 30.32 2wcg h GLU 151 CO 0.30 0.00 0.61 0.93 -1.00 0.00 0.00 179.01 179.85 2wcg h GLU 152 N 0.00 0.76 0.00 2.33 3.07 -1.96 0.28 114.58 119.06 2wcg h GLU 152 Ca 0.07 -0.05 -0.05 0.00 -0.50 0.00 0.00 59.36 58.83 2wcg h GLU 152 Cb 0.35 -0.17 -0.01 0.00 -0.84 0.00 0.00 28.75 28.08 2wcg h GLU 152 CO -0.00 0.50 -0.32 -0.44 -1.40 0.00 0.00 179.01 177.35 2wcg h ASP 153 N 0.78 0.00 1.58 1.42 3.32 -1.62 -0.97 116.42 120.93 2wcg h ASP 153 Ca 0.50 -0.70 -0.05 0.00 0.02 0.00 0.00 57.03 56.79 2wcg h ASP 153 Cb 0.73 0.00 -0.01 0.00 0.22 0.00 0.00 39.33 40.27 2wcg h ASP 153 CO -0.26 1.04 -0.24 0.71 -1.72 0.00 0.00 179.24 178.76 2wcg h THR 154 N -1.00 0.44 0.00 0.35 1.35 -1.26 0.30 112.91 113.10 2wcg h THR 154 Ca -0.08 -1.51 -0.04 0.00 -0.55 0.00 0.00 66.41 64.23 2wcg h THR 154 Cb 0.92 2.12 -0.01 0.00 -1.73 0.00 0.00 68.15 69.45 2wcg h THR 154 CO -0.05 0.24 -1.48 0.29 -0.25 0.00 0.00 175.52 174.27 2wcg n LYS 155 N -3.19 0.77 -0.01 4.72 4.01 0.06 -4.54 118.16 119.98 2wcg n LYS 155 Ca 0.02 -0.07 -0.01 0.00 -0.51 0.00 0.00 58.31 57.74 2wcg n LYS 155 Cb 0.59 -1.23 -0.00 0.00 -0.51 0.00 0.00 35.03 33.87 2wcg n LYS 155 CO 0.00 0.00 0.00 1.28 -1.11 0.00 0.00 177.40 177.57 2wcg n LEU 156 N -1.95 0.44 -0.06 -0.35 4.77 -1.02 -4.69 117.00 114.14 2wcg n LEU 156 Ca -0.05 0.07 -0.13 0.00 -0.03 0.00 0.00 56.01 55.87 2wcg n LEU 156 Cb 0.37 -0.34 -0.06 0.00 -2.33 0.00 0.00 43.42 41.06 2wcg n LEU 156 CO 0.20 -0.50 0.57 0.11 -1.33 0.00 0.00 177.39 176.44 2wcg h LYS 157 N -0.15 0.48 -0.22 3.23 1.57 -1.14 -3.07 116.57 117.28 2wcg h LYS 157 Ca 0.00 -0.27 -0.04 0.00 -1.87 0.00 0.00 60.65 58.47 2wcg h LYS 157 Cb 0.15 0.02 -0.01 0.00 0.08 0.00 0.00 32.23 32.47 2wcg h LYS 157 CO 0.00 0.85 -0.03 0.82 -0.57 0.00 0.00 179.45 180.52 2wcg h ILE 158 N 0.14 1.28 -0.66 1.86 2.04 -1.18 0.54 117.51 121.52 2wcg h ILE 158 Ca 0.02 -0.99 -0.04 0.00 1.00 0.00 0.00 64.86 64.85 2wcg h ILE 158 Cb 0.78 1.49 -0.03 0.00 -0.74 0.00 0.00 36.82 38.32 2wcg h ILE 158 CO 0.05 0.30 0.24 -0.65 0.00 0.00 0.00 178.15 178.10 2wcg h PRO 159 N 0.14 0.98 -0.49 2.37 0.11 -1.77 -1.52 132.00 131.82 2wcg h PRO 159 Ca 0.06 -0.17 -0.11 0.00 0.11 0.00 0.00 66.00 65.88 2wcg h PRO 159 Cb 0.47 -0.16 -0.02 0.00 0.11 0.00 0.00 31.00 31.40 2wcg h PRO 159 CO 0.02 0.82 -0.13 -0.07 -0.21 0.00 0.00 178.00 178.42 2wcg h LEU 160 N 0.96 0.94 -0.28 2.35 3.38 -1.41 -1.26 115.31 119.99 2wcg h LEU 160 Ca 0.22 -0.31 0.00 0.00 0.09 0.00 0.00 57.88 57.88 2wcg h LEU 160 Cb 0.21 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2wcg h LEU 160 CO -0.02 1.07 0.18 0.40 0.09 0.00 0.00 178.44 180.17 2wcg h ILE 161 N 0.83 1.08 -0.56 1.22 2.04 -0.65 0.56 117.51 122.03 2wcg h ILE 161 Ca 0.13 -0.16 0.02 0.00 1.00 0.00 0.00 64.86 65.85 2wcg h ILE 161 Cb 0.67 0.68 -0.04 0.00 -0.74 0.00 0.00 36.82 37.40 2wcg h ILE 161 CO 0.05 0.08 0.34 0.45 0.00 0.00 0.00 178.15 179.07 2wcg h HIS 162 N 0.38 0.64 -0.83 1.37 3.86 -1.07 -1.32 115.15 118.19 2wcg h HIS 162 Ca 0.10 0.02 -0.02 0.00 -1.16 0.00 0.00 60.37 59.31 2wcg h HIS 162 Cb -0.03 -0.21 -0.04 0.00 1.06 0.00 0.00 27.41 28.19 2wcg h HIS 162 CO -0.05 0.37 0.42 0.00 0.86 0.00 0.00 177.93 179.53 2wcg h ARG 163 N 0.68 1.17 -0.18 2.45 3.08 -0.96 -1.14 114.38 119.49 2wcg h ARG 163 Ca 0.22 -0.16 0.05 0.00 0.07 0.00 0.00 59.98 60.17 2wcg h ARG 163 Cb 0.01 -0.22 -0.06 0.00 0.08 0.00 0.00 29.97 29.78 2wcg h ARG 163 CO -0.09 0.89 -0.19 0.00 -1.07 0.00 0.00 179.97 179.50 2wcg h ALA 164 N 1.22 -0.09 -0.71 0.04 0.00 -0.28 -2.27 119.26 117.18 2wcg h ALA 164 Ca 0.29 0.06 -0.02 0.00 0.00 0.00 0.00 54.91 55.24 2wcg h ALA 164 Cb 0.08 0.39 -0.03 0.00 0.00 0.00 0.00 17.79 18.23 2wcg h ALA 164 CO -0.04 -0.63 0.37 -0.07 0.00 0.00 0.00 179.25 178.88 2wcg h LEU 165 N -0.21 0.89 -1.65 0.00 3.38 -0.96 -1.05 115.31 115.71 2wcg h LEU 165 Ca 0.12 -0.08 -0.03 0.00 0.09 0.00 0.00 57.88 57.97 2wcg h LEU 165 Cb 0.39 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 40.90 2wcg h LEU 165 CO -0.31 0.74 -0.11 1.56 0.09 0.00 0.00 178.44 180.41 2wcg h GLN 166 N 1.00 0.08 -0.00 1.13 4.20 -0.87 -2.47 115.11 118.18 2wcg h GLN 166 Ca 0.25 -0.01 0.00 0.00 0.06 0.00 0.00 58.65 58.95 2wcg h GLN 166 Cb 0.06 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.83 2wcg h GLN 166 CO -0.04 0.20 -0.68 1.28 -0.67 0.00 0.00 178.83 178.92 2wcg n LEU 167 N -4.36 0.89 -4.76 1.46 4.77 -0.88 -4.98 117.00 109.13 2wcg n LEU 167 Ca -0.02 -0.30 -0.40 0.00 -0.03 0.00 0.00 56.01 55.26 2wcg n LEU 167 Cb 0.21 -0.11 -0.04 0.00 -2.33 0.00 0.00 43.42 41.15 2wcg n LEU 167 CO 0.36 0.20 0.80 0.00 -1.33 0.00 0.00 177.39 177.43 2wcg s ALA 168 N -2.91 3.40 0.12 -1.18 0.00 -0.44 -3.80 121.76 116.94 2wcg s ALA 168 Ca 0.12 0.91 -0.01 0.00 0.00 0.00 0.00 51.96 52.97 2wcg s ALA 168 Cb 0.17 -3.33 -0.16 0.00 0.00 0.00 0.00 23.12 19.80 2wcg s ALA 168 CO 0.74 -0.19 1.25 1.96 0.00 0.00 0.00 175.76 179.53 2wcg h GLN 169 N 3.73 0.25 -6.24 0.00 4.20 -1.71 -3.47 115.11 111.86 2wcg h GLN 169 Ca -0.47 -0.34 -0.61 0.00 0.06 0.00 0.00 58.65 57.29 2wcg h GLN 169 Cb 1.21 0.11 -0.15 0.00 0.30 0.00 0.00 27.48 28.96 2wcg h GLN 169 CO 0.67 1.10 -0.77 1.03 -0.67 0.00 0.00 178.83 180.19 2wcg s ARG 170 N -2.93 1.64 0.19 1.46 0.52 -1.26 -5.02 118.95 113.54 2wcg s ARG 170 Ca -0.03 -1.72 -0.31 0.00 -0.52 0.00 0.00 55.73 53.14 2wcg s ARG 170 Cb 0.09 -1.75 -0.10 0.00 0.52 0.00 0.00 34.95 33.70 2wcg s ARG 170 CO 0.86 0.33 1.58 -2.14 0.02 0.00 0.00 175.30 175.95 2wcg s PRO 171 N -3.38 4.20 -0.14 3.54 0.02 -1.26 -4.95 135.00 133.02 2wcg s PRO 171 Ca 0.28 2.41 -0.07 0.00 0.02 0.00 0.00 61.00 63.64 2wcg s PRO 171 Cb -0.05 -3.13 -0.04 0.00 0.02 0.00 0.00 34.50 31.30 2wcg s PRO 171 CO 0.14 -0.61 0.11 0.08 -0.33 0.00 0.00 177.00 176.39 2wcg s VAL 172 N 0.95 5.26 -0.13 3.83 1.01 -1.26 -4.82 120.40 125.24 2wcg s VAL 172 Ca 0.69 0.12 -0.05 0.00 0.00 0.00 0.00 61.98 62.75 2wcg s VAL 172 Cb -0.45 -3.32 -0.04 0.00 0.00 0.00 0.00 36.38 32.58 2wcg s VAL 172 CO 0.34 0.55 0.04 -0.44 0.00 0.00 0.00 175.10 175.59 2wcg s SER 173 N -0.48 5.52 -0.07 3.32 0.01 0.79 -4.96 113.70 117.83 2wcg s SER 173 Ca 0.11 0.15 -0.02 0.00 1.31 0.00 0.00 55.95 57.50 2wcg s SER 173 Cb -0.12 -1.77 -0.04 0.00 0.21 0.00 0.00 66.02 64.31 2wcg s SER 173 CO 0.02 0.30 0.06 -0.76 0.41 0.00 0.00 173.24 173.26 2wcg s LEU 174 N -0.38 3.85 -0.06 2.44 1.43 -1.26 -1.07 118.68 123.63 2wcg s LEU 174 Ca 0.08 0.21 0.02 0.00 -1.03 0.00 0.00 54.13 53.42 2wcg s LEU 174 Cb -0.12 -2.01 0.01 0.00 0.03 0.00 0.00 46.19 44.11 2wcg s LEU 174 CO 0.02 0.35 -0.11 -0.22 0.23 0.00 0.00 176.35 176.62 2wcg s LEU 175 N -1.17 1.62 0.11 1.79 2.96 -0.34 -1.02 118.68 122.62 2wcg s LEU 175 Ca 0.17 -0.26 0.07 0.00 -0.22 0.00 0.00 54.13 53.89 2wcg s LEU 175 Cb -0.12 -0.74 -0.04 0.00 0.50 0.00 0.00 46.19 45.79 2wcg s LEU 175 CO 0.06 0.03 -0.10 0.00 -1.32 0.00 0.00 176.35 175.02 2wcg s ALA 176 N 0.62 2.97 -0.11 5.97 0.00 -0.85 -0.28 121.76 130.09 2wcg s ALA 176 Ca -0.12 -1.25 -0.11 0.00 0.00 0.00 0.00 51.96 50.47 2wcg s ALA 176 Cb -0.15 -0.90 0.03 0.00 0.00 0.00 0.00 23.12 22.10 2wcg s ALA 176 CO 0.03 0.64 0.31 -1.12 0.00 0.00 0.00 175.76 175.61 2wcg s SER 177 N -2.25 -0.31 0.05 0.00 0.01 -0.95 -1.49 113.70 108.76 2wcg s SER 177 Ca 0.22 0.58 -0.02 0.00 1.31 0.00 0.00 55.95 58.03 2wcg s SER 177 Cb -0.11 0.61 -0.04 0.00 0.21 0.00 0.00 66.02 66.68 2wcg s SER 177 CO 0.14 -0.14 0.24 -2.16 0.41 0.00 0.00 173.24 171.73 2wcg s PRO 178 N 0.03 3.48 -0.18 12.44 0.04 -1.26 -0.22 135.00 149.34 2wcg s PRO 178 Ca -0.01 -0.32 -0.15 0.00 0.04 0.00 0.00 61.00 60.57 2wcg s PRO 178 Cb -0.02 -3.02 -0.10 0.00 0.04 0.00 0.00 34.50 31.39 2wcg s PRO 178 CO 0.01 0.60 -0.06 0.91 0.04 0.00 0.00 177.00 178.50 2wcg n TRP 179 N 0.48 0.85 -4.24 0.56 5.03 -1.26 -0.68 117.44 118.19 2wcg n TRP 179 Ca -0.06 0.37 -0.17 0.00 3.03 0.00 0.00 57.50 60.66 2wcg n TRP 179 Cb 0.52 -0.89 -0.11 0.00 -1.03 0.00 0.00 31.31 29.80 2wcg n TRP 179 CO 0.00 0.00 0.00 -0.08 -0.03 0.00 0.00 177.69 177.58 2wcg s THR 180 N -2.35 1.29 0.64 -0.99 -1.32 -1.26 -3.22 115.64 108.44 2wcg s THR 180 Ca -0.22 -1.75 -0.05 0.00 -1.21 0.00 0.00 61.69 58.45 2wcg s THR 180 Cb 0.04 -1.55 0.04 0.00 -1.51 0.00 0.00 72.50 69.52 2wcg s THR 180 CO 0.39 -0.46 0.94 -0.94 -2.21 0.00 0.00 174.62 172.33 2wcg s SER 181 N -2.54 5.16 0.35 8.08 1.04 -1.26 -4.95 113.70 119.57 2wcg s SER 181 Ca 0.10 0.49 -0.25 0.00 0.48 0.00 0.00 55.95 56.76 2wcg s SER 181 Cb -0.04 -1.30 -0.13 0.00 0.10 0.00 0.00 66.02 64.65 2wcg s SER 181 CO 0.03 -1.34 0.81 -2.65 0.98 0.00 0.00 173.24 171.06 2wcg n PRO 182 N -2.72 0.95 0.28 4.02 -0.02 -1.26 -4.87 135.00 131.37 2wcg n PRO 182 Ca 0.07 0.34 0.14 0.00 -2.02 0.00 0.00 63.50 62.03 2wcg n PRO 182 Cb 0.59 -1.68 0.80 0.00 -0.02 0.00 0.00 33.50 33.19 2wcg n PRO 182 CO 0.00 0.00 0.00 1.79 1.98 0.00 0.00 175.50 179.27 2wcg h THR 183 N 1.41 0.48 -0.00 3.45 1.35 -1.89 -1.81 112.91 115.90 2wcg h THR 183 Ca -0.39 -0.40 0.00 0.00 -0.55 0.00 0.00 66.41 65.07 2wcg h THR 183 Cb 1.37 1.27 0.00 0.00 -1.73 0.00 0.00 68.15 69.05 2wcg h THR 183 CO 0.56 0.08 -0.01 -2.67 -0.25 0.00 0.00 175.52 173.24 2wcg n TRP 184 N -3.60 0.00 0.99 4.73 4.27 -1.26 -1.63 117.44 120.94 2wcg n TRP 184 Ca -0.02 0.00 0.12 0.00 -3.89 0.00 0.00 57.50 53.71 2wcg n TRP 184 Cb 0.20 -0.06 0.12 0.00 -1.36 0.00 0.00 31.31 30.21 2wcg n TRP 184 CO 0.00 0.00 0.00 1.28 -2.29 0.00 0.00 177.69 176.68 2wcg n LEU 185 N -0.99 2.96 -4.62 5.67 4.77 -0.68 -4.88 117.00 119.23 2wcg n LEU 185 Ca 0.21 -1.00 -0.31 0.00 -0.03 0.00 0.00 56.01 54.88 2wcg n LEU 185 Cb 0.16 -0.01 -0.09 0.00 -2.33 0.00 0.00 43.42 41.14 2wcg n LEU 185 CO 0.19 0.50 -0.38 -0.54 -1.33 0.00 0.00 177.39 175.84 2wcg s LYS 186 N -1.98 2.44 0.61 3.23 1.02 -0.64 -0.98 119.74 123.43 2wcg s LYS 186 Ca 0.29 -0.84 0.32 0.00 0.02 0.00 0.00 55.97 55.76 2wcg s LYS 186 Cb 0.20 -2.46 1.85 0.00 -0.52 0.00 0.00 37.83 36.89 2wcg s LYS 186 CO 0.30 0.56 2.20 1.79 -0.92 0.00 0.00 175.35 179.28 2wcg h THR 187 N 3.34 0.40 -0.09 2.17 1.35 0.00 -2.76 112.91 117.32 2wcg h THR 187 Ca -0.48 0.00 0.00 0.00 -0.55 0.00 0.00 66.41 65.38 2wcg h THR 187 Cb 1.17 0.92 0.00 0.00 -1.73 0.00 0.00 68.15 68.51 2wcg h THR 187 CO 0.55 0.00 0.00 -0.46 -0.25 0.00 0.00 175.52 175.36 2wcg n ASN 188 N -3.67 2.24 -2.31 5.36 6.94 -1.26 -4.98 115.26 117.58 2wcg n ASN 188 Ca -0.01 -1.62 -0.19 0.00 -0.02 0.00 0.00 54.58 52.74 2wcg n ASN 188 Cb 0.18 -0.05 -0.02 0.00 -2.36 0.00 0.00 39.78 37.53 2wcg n ASN 188 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2wcg n GLY 189 N 0.69 -0.22 3.14 4.83 0.00 -1.04 -4.98 105.19 107.61 2wcg n GLY 189 Ca 0.08 0.00 -0.08 0.00 0.00 0.00 0.00 46.02 46.02 2wcg n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2wcg s ALA 190 N -2.93 0.43 -0.05 4.61 0.00 -1.26 -4.91 121.76 117.66 2wcg s ALA 190 Ca 0.00 -1.15 0.21 0.00 0.00 0.00 0.00 51.96 51.02 2wcg s ALA 190 Cb 0.00 0.49 0.56 0.00 0.00 0.00 0.00 23.12 24.18 2wcg s ALA 190 CO 0.00 -0.44 1.67 -0.39 0.00 0.00 0.00 175.76 176.60 2wcg h VAL 191 N 2.97 0.57 -3.61 0.00 -1.51 -1.93 -3.45 116.25 109.28 2wcg h VAL 191 Ca -0.34 -1.46 0.00 0.00 -1.23 0.00 0.00 66.70 63.67 2wcg h VAL 191 Cb 1.17 2.02 0.00 0.00 -2.13 0.00 0.00 31.29 32.35 2wcg h VAL 191 CO 0.61 0.28 0.00 -0.46 -1.23 0.00 0.00 177.57 176.77 2wcg n ASN 192 N -3.29 1.88 -0.64 4.19 0.23 -1.26 -1.83 115.26 114.55 2wcg n ASN 192 Ca 0.01 -0.73 0.08 0.00 -0.53 0.00 0.00 54.58 53.42 2wcg n ASN 192 Cb 0.54 0.00 -0.02 0.00 -2.08 0.00 0.00 39.78 38.22 2wcg n ASN 192 CO 0.00 0.00 0.00 0.61 -0.93 0.00 0.00 177.26 176.94 2wcg n GLY 193 N 4.71 -2.07 3.68 4.83 0.00 0.10 -4.78 105.19 111.66 2wcg n GLY 193 Ca 0.00 -1.36 -0.43 0.00 0.00 0.00 0.00 46.02 44.24 2wcg n GLY 193 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 173.32 174.57 2wcg s LYS 194 N -1.46 4.37 0.00 1.61 2.20 -1.22 -4.63 119.74 120.61 2wcg s LYS 194 Ca 0.00 1.49 0.00 0.00 -0.36 0.00 0.00 55.97 57.10 2wcg s LYS 194 Cb 0.00 -3.57 0.00 0.00 -1.51 0.00 0.00 37.83 32.75 2wcg s LYS 194 CO 0.00 -0.42 0.00 0.41 -0.36 0.00 0.00 175.35 174.98 2wcg n GLY 195 N 3.24 1.41 3.21 5.54 0.00 -0.70 -4.67 105.19 113.20 2wcg n GLY 195 Ca 0.10 -0.41 -0.19 0.00 0.00 0.00 0.00 46.02 45.52 2wcg n GLY 195 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 2wcg n SER 196 N 0.00 -0.72 -4.74 1.61 3.41 -1.26 -0.55 113.62 111.37 2wcg n SER 196 Ca 0.00 -3.19 -0.41 0.00 -0.26 0.00 0.00 58.87 55.01 2wcg n SER 196 Cb 0.00 1.69 0.00 0.00 -0.26 0.00 0.00 64.21 65.64 2wcg n SER 196 CO 0.00 0.00 0.00 0.18 -0.16 0.00 0.00 175.04 175.06 2wcg n LEU 197 N 0.00 4.35 -4.75 1.04 4.77 -1.26 0.68 117.00 121.83 2wcg n LEU 197 Ca 0.08 1.19 -0.33 0.00 -0.03 0.00 0.00 56.01 56.92 2wcg n LEU 197 Cb 0.60 -1.56 0.07 0.00 -2.33 0.00 0.00 43.42 40.21 2wcg n LEU 197 CO 0.31 -0.20 0.74 -0.54 -1.33 0.00 0.00 177.39 176.37 2wcg s LYS 198 N -2.10 2.46 3.71 3.23 1.02 -0.16 -4.59 119.74 123.31 2wcg s LYS 198 Ca 0.56 1.43 0.00 0.00 0.02 0.00 0.00 55.97 57.98 2wcg s LYS 198 Cb -0.50 -1.90 0.00 0.00 -0.52 0.00 0.00 37.83 34.90 2wcg s LYS 198 CO 0.62 -1.53 0.00 0.41 -0.92 0.00 0.00 175.35 173.93 2wcg n GLY 199 N -0.42 0.24 3.06 -3.33 0.00 -1.26 -4.61 105.19 98.87 2wcg n GLY 199 Ca 0.11 -0.95 -0.09 0.00 0.00 0.00 0.00 46.02 45.08 2wcg n GLY 199 CO 0.00 0.00 0.00 -0.86 0.00 0.00 0.00 173.32 172.46 2wcg s GLN 200 N 0.00 0.52 0.49 1.61 -2.07 -1.26 -5.09 119.66 113.86 2wcg s GLN 200 Ca 0.00 -0.93 -0.22 0.00 -1.82 0.00 0.00 55.36 52.40 2wcg s GLN 200 Cb 0.00 0.01 -0.09 0.00 -1.09 0.00 0.00 33.01 31.84 2wcg s GLN 200 CO 0.00 -0.04 0.93 -2.30 -1.32 0.00 0.00 175.29 172.56 2wcg n PRO 201 N 0.89 1.12 0.00 9.60 -0.02 -1.26 -1.91 135.00 143.42 2wcg n PRO 201 Ca -0.19 0.41 0.00 0.00 -2.02 0.00 0.00 63.50 61.70 2wcg n PRO 201 Cb 0.58 -2.03 0.00 0.00 -0.02 0.00 0.00 33.50 32.02 2wcg n PRO 201 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 2wcg n GLY 202 N 1.29 2.09 3.28 -1.23 0.00 -1.26 -4.99 105.19 104.38 2wcg n GLY 202 Ca 0.11 0.00 -0.18 0.00 0.00 0.00 0.00 46.02 45.94 2wcg n GLY 202 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 2wcg n ASP 203 N 0.00 1.34 -0.23 1.61 5.68 -0.80 -4.83 116.55 119.33 2wcg n ASP 203 Ca 0.00 -2.07 0.05 0.00 -0.50 0.00 0.00 54.79 52.27 2wcg n ASP 203 Cb 0.00 -0.49 0.30 0.00 -1.14 0.00 0.00 41.12 39.80 2wcg n ASP 203 CO 0.00 0.00 0.00 -0.29 -1.33 0.00 0.00 177.20 175.58 2wcg h ILE 204 N -0.36 1.06 -0.16 2.12 2.10 -1.96 0.71 117.51 121.01 2wcg h ILE 204 Ca -0.26 -0.30 -0.06 0.00 1.08 0.00 0.00 64.86 65.31 2wcg h ILE 204 Cb 1.04 0.10 -0.00 0.00 -1.09 0.00 0.00 36.82 36.87 2wcg h ILE 204 CO 0.31 0.16 -0.14 1.88 -1.08 0.00 0.00 178.15 179.28 2wcg h TYR 205 N 0.88 0.46 -0.49 2.19 -1.99 -1.91 0.10 116.97 116.20 2wcg h TYR 205 Ca 0.33 -0.13 -0.01 0.00 2.00 0.00 0.00 58.73 60.93 2wcg h TYR 205 Cb 0.19 -0.10 -0.02 0.00 2.00 0.00 0.00 36.73 38.80 2wcg h TYR 205 CO -0.00 0.75 0.29 0.45 -0.00 0.00 0.00 178.16 179.64 2wcg h HIS 206 N 0.04 0.66 -0.86 4.88 3.86 -1.78 -1.44 115.15 120.50 2wcg h HIS 206 Ca 0.03 -0.01 0.07 0.00 -1.16 0.00 0.00 60.37 59.30 2wcg h HIS 206 Cb 0.66 -0.21 -0.06 0.00 1.06 0.00 0.00 27.41 28.85 2wcg h HIS 206 CO 0.08 0.47 0.53 0.37 0.86 0.00 0.00 177.93 180.24 2wcg h GLN 207 N 0.66 0.92 -0.35 2.45 4.15 -0.79 -0.13 115.11 122.01 2wcg h GLN 207 Ca 0.18 -0.06 -0.14 0.00 0.77 0.00 0.00 58.65 59.40 2wcg h GLN 207 Cb 0.02 -0.21 -0.01 0.00 0.21 0.00 0.00 27.48 27.49 2wcg h GLN 207 CO -0.03 0.61 -0.36 1.15 -1.93 0.00 0.00 178.83 178.27 2wcg h THR 208 N 0.95 1.28 -0.33 2.39 2.02 -0.70 -2.21 112.91 116.30 2wcg h THR 208 Ca 0.39 -1.52 -0.05 0.00 0.77 0.00 0.00 66.41 65.99 2wcg h THR 208 Cb 0.22 1.39 -0.01 0.00 -1.74 0.00 0.00 68.15 68.00 2wcg h THR 208 CO -0.19 0.50 -0.01 -0.25 0.37 0.00 0.00 175.52 175.95 2wcg h TRP 209 N 0.67 0.65 -0.90 3.16 -0.00 -0.91 -1.62 115.95 116.99 2wcg h TRP 209 Ca 0.06 -0.11 0.03 0.00 -0.00 0.00 0.00 58.89 58.86 2wcg h TRP 209 Cb 0.91 -0.17 -0.05 0.00 -0.00 0.00 0.00 29.16 29.85 2wcg h TRP 209 CO 0.05 0.71 0.59 0.00 -0.00 0.00 0.00 178.44 179.79 2wcg h ALA 210 N 0.85 1.17 -0.13 2.65 0.00 -0.93 -2.57 119.26 120.31 2wcg h ALA 210 Ca 0.09 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.88 2wcg h ALA 210 Cb 0.46 -0.33 -0.01 0.00 0.00 0.00 0.00 17.79 17.90 2wcg h ALA 210 CO 0.02 0.48 -0.26 0.00 0.00 0.00 0.00 179.25 179.48 2wcg h ARG 211 N 1.16 0.23 -1.00 0.00 3.08 -1.00 -2.24 114.38 114.62 2wcg h ARG 211 Ca 0.35 -0.08 0.14 0.00 0.07 0.00 0.00 59.98 60.46 2wcg h ARG 211 Cb -0.05 -0.02 -0.09 0.00 0.08 0.00 0.00 29.97 29.89 2wcg h ARG 211 CO -0.10 0.49 0.63 -0.92 -1.07 0.00 0.00 179.97 178.99 2wcg h TYR 212 N 0.21 1.12 -0.26 3.04 3.20 -0.88 0.20 116.97 123.60 2wcg h TYR 212 Ca 0.03 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.93 2wcg h TYR 212 Cb 0.59 -0.35 -0.01 0.00 1.54 0.00 0.00 36.73 38.49 2wcg h TYR 212 CO 0.01 0.38 0.13 0.74 -1.64 0.00 0.00 178.16 177.78 2wcg h PHE 213 N 0.92 0.36 -0.74 -3.82 -1.00 -1.34 -0.54 116.94 110.79 2wcg h PHE 213 Ca 0.52 -0.01 -0.03 0.00 2.81 0.00 0.00 57.97 61.26 2wcg h PHE 213 Cb 0.63 -0.11 -0.03 0.00 3.61 0.00 0.00 35.95 40.04 2wcg h PHE 213 CO -0.00 0.33 0.36 0.28 -1.61 0.00 0.00 178.31 177.66 2wcg h VAL 214 N 0.29 1.24 -0.22 -0.55 2.07 -1.31 -1.43 116.25 116.35 2wcg h VAL 214 Ca 0.09 -0.67 -0.00 0.00 0.82 0.00 0.00 66.70 66.94 2wcg h VAL 214 Cb 0.09 0.32 -0.01 0.00 -1.52 0.00 0.00 31.29 30.17 2wcg h VAL 214 CO -0.01 0.28 0.14 0.11 0.02 0.00 0.00 177.57 178.10 2wcg h LYS 215 N 1.03 0.29 -0.15 1.57 1.79 -0.43 0.29 116.57 120.97 2wcg h LYS 215 Ca 0.25 -0.02 0.05 0.00 -2.18 0.00 0.00 60.65 58.75 2wcg h LYS 215 Cb 0.12 -0.06 -0.06 0.00 -1.58 0.00 0.00 32.23 30.64 2wcg h LYS 215 CO -0.03 0.22 -0.30 0.35 -1.08 0.00 0.00 179.45 178.61 2wcg h PHE 216 N 0.28 -0.83 -0.75 -1.35 3.57 -0.98 0.25 116.94 117.12 2wcg h PHE 216 Ca 0.08 0.04 0.08 0.00 3.53 0.00 0.00 57.97 61.70 2wcg h PHE 216 Cb 0.00 0.39 -0.07 0.00 2.79 0.00 0.00 35.95 39.07 2wcg h PHE 216 CO -0.05 -0.38 0.41 -0.07 -2.23 0.00 0.00 178.31 175.99 2wcg h LEU 217 N -0.37 0.59 -0.32 0.59 3.38 -0.90 -1.81 115.31 116.48 2wcg h LEU 217 Ca 0.10 0.04 -0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wcg h LEU 217 Cb 0.53 -0.07 -0.02 0.00 0.09 0.00 0.00 40.66 41.19 2wcg h LEU 217 CO -0.35 0.35 0.19 0.44 0.09 0.00 0.00 178.44 179.16 2wcg h ASP 218 N 0.72 0.38 -0.81 -0.43 3.32 0.08 -0.33 116.42 119.36 2wcg h ASP 218 Ca 0.35 -0.05 -0.02 0.00 0.02 0.00 0.00 57.03 57.33 2wcg h ASP 218 Cb 0.30 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 39.71 2wcg h ASP 218 CO -0.23 0.32 0.43 0.00 -1.72 0.00 0.00 179.24 178.05 2wcg h ALA 219 N 1.08 1.22 -0.04 3.45 0.00 -0.52 -1.65 119.26 122.80 2wcg h ALA 219 Ca 0.11 -0.13 -0.20 0.00 0.00 0.00 0.00 54.91 54.69 2wcg h ALA 219 Cb 0.01 -0.33 -0.00 0.00 0.00 0.00 0.00 17.79 17.47 2wcg h ALA 219 CO -0.02 0.62 -0.82 1.88 0.00 0.00 0.00 179.25 180.91 2wcg h TYR 220 N 1.15 0.54 -0.37 0.00 -1.99 -1.10 -3.05 116.97 112.15 2wcg h TYR 220 Ca 0.29 -0.26 -0.09 0.00 2.00 0.00 0.00 58.73 60.66 2wcg h TYR 220 Cb 0.05 -0.07 -0.02 0.00 2.00 0.00 0.00 36.73 38.69 2wcg h TYR 220 CO 0.01 1.05 -0.15 0.00 -0.00 0.00 0.00 178.16 179.07 2wcg h ALA 221 N 0.87 1.05 0.00 3.88 0.00 -0.71 0.69 119.26 125.05 2wcg h ALA 221 Ca -0.05 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.54 2wcg h ALA 221 Cb 1.42 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 19.06 2wcg h ALA 221 CO 0.14 0.57 -0.02 0.93 0.00 0.00 0.00 179.25 180.87 2wcg h GLU 222 N 0.60 0.00 -0.64 0.00 5.08 -1.27 0.42 114.58 118.77 2wcg h GLU 222 Ca 0.10 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.46 2wcg h GLU 222 Cb 0.60 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.85 2wcg h GLU 222 CO 0.04 0.02 0.00 0.72 -1.00 0.00 0.00 179.01 178.79 2wcg n HIS 223 N -3.53 1.08 -2.06 4.33 8.25 -0.42 -4.93 115.22 117.94 2wcg n HIS 223 Ca -0.03 -0.47 -0.08 0.00 -0.26 0.00 0.00 57.72 56.88 2wcg n HIS 223 Cb 0.12 -0.11 -0.01 0.00 1.12 0.00 0.00 29.99 31.11 2wcg n HIS 223 CO 0.00 0.00 0.00 1.63 0.64 0.00 0.00 176.34 178.61 2wcg n LYS 224 N 1.15 -0.67 -4.75 -0.41 4.76 0.14 -5.03 118.16 113.35 2wcg n LYS 224 Ca 0.22 0.46 -0.33 0.00 -2.87 0.00 0.00 58.31 55.78 2wcg n LYS 224 Cb 0.66 -4.41 -0.15 0.00 -1.84 0.00 0.00 35.03 29.29 2wcg n LYS 224 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 2wcg s LEU 225 N -2.38 2.48 0.09 -0.35 1.43 0.10 -4.99 118.68 115.08 2wcg s LEU 225 Ca 0.00 -0.44 0.09 0.00 -1.03 0.00 0.00 54.13 52.75 2wcg s LEU 225 Cb 0.00 -1.55 -0.04 0.00 0.03 0.00 0.00 46.19 44.63 2wcg s LEU 225 CO 0.00 0.13 -0.21 0.00 0.23 0.00 0.00 176.35 176.50 2wcg s GLN 226 N 0.56 1.77 -0.02 1.70 -2.07 -1.26 -2.70 119.66 117.64 2wcg s GLN 226 Ca -0.10 -1.16 -0.11 0.00 -1.82 0.00 0.00 55.36 52.17 2wcg s GLN 226 Cb -0.16 -2.07 -0.05 0.00 -1.09 0.00 0.00 33.01 29.63 2wcg s GLN 226 CO 0.04 0.49 0.32 -0.06 -1.32 0.00 0.00 175.29 174.76 2wcg s PHE 227 N -1.04 3.66 -0.03 9.60 0.40 -1.26 -4.53 117.98 124.77 2wcg s PHE 227 Ca 0.16 0.79 -0.16 0.00 -0.60 0.00 0.00 56.93 57.12 2wcg s PHE 227 Cb -0.10 -2.14 -0.32 0.00 0.51 0.00 0.00 43.02 40.96 2wcg s PHE 227 CO 0.07 0.65 0.81 2.35 0.70 0.00 0.00 175.22 179.80 2wcg h TRP 228 N 4.55 0.73 -3.46 0.36 7.01 -1.43 -3.43 115.95 120.28 2wcg h TRP 228 Ca -0.52 -0.54 -0.09 0.00 2.11 0.00 0.00 58.89 59.86 2wcg h TRP 228 Cb 1.22 -0.03 -0.16 0.00 -2.10 0.00 0.00 29.16 28.09 2wcg h TRP 228 CO 0.71 1.54 -0.27 0.00 -2.79 0.00 0.00 178.44 177.64 2wcg s ALA 229 N -2.54 -0.57 0.17 2.65 0.00 -1.06 -1.02 121.76 119.39 2wcg s ALA 229 Ca -0.14 -0.18 0.07 0.00 0.00 0.00 0.00 51.96 51.72 2wcg s ALA 229 Cb 0.04 0.40 -0.04 0.00 0.00 0.00 0.00 23.12 23.52 2wcg s ALA 229 CO 0.87 -0.46 -0.15 0.14 0.00 0.00 0.00 175.76 176.16 2wcg s VAL 230 N -3.02 1.64 0.15 0.00 -7.23 0.37 -2.00 120.40 110.32 2wcg s VAL 230 Ca -0.02 -2.01 0.06 0.00 -1.81 0.00 0.00 61.98 58.20 2wcg s VAL 230 Cb 0.01 -1.86 -0.04 0.00 0.56 0.00 0.00 36.38 35.04 2wcg s VAL 230 CO -0.06 -0.49 0.04 0.42 -0.31 0.00 0.00 175.10 174.70 2wcg s THR 231 N -2.55 4.00 0.07 5.32 -4.23 -0.56 -0.70 115.64 117.01 2wcg s THR 231 Ca 0.17 -1.23 0.28 0.00 -1.18 0.00 0.00 61.69 59.74 2wcg s THR 231 Cb -0.03 -3.00 0.31 0.00 1.34 0.00 0.00 72.50 71.13 2wcg s THR 231 CO 0.06 -0.06 1.88 0.00 -0.54 0.00 0.00 174.62 175.96 2wcg h ALA 232 N 2.79 1.01 0.00 3.99 0.00 -1.71 -3.42 119.26 121.92 2wcg h ALA 232 Ca -0.47 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.34 2wcg h ALA 232 Cb 1.19 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.97 2wcg h ALA 232 CO 0.60 0.14 0.00 -1.91 0.00 0.00 0.00 179.25 178.08 2wcg n GLU 233 N -3.23 0.00 -2.25 0.00 4.07 -1.26 -4.90 120.64 113.06 2wcg n GLU 233 Ca 0.01 0.00 -0.42 0.00 -0.06 0.00 0.00 57.16 56.68 2wcg n GLU 233 Cb 0.38 0.00 -0.03 0.00 -0.06 0.00 0.00 31.44 31.74 2wcg n GLU 233 CO 0.00 0.00 0.00 1.21 -0.06 0.00 0.00 177.13 178.28 2wcg s ASN 234 N 0.00 6.87 -1.14 4.31 2.47 0.15 -4.16 114.94 123.44 2wcg s ASN 234 Ca 0.00 2.05 -0.25 0.00 0.42 0.00 0.00 52.86 55.08 2wcg s ASN 234 Cb 0.00 -2.56 0.02 0.00 -1.45 0.00 0.00 41.25 37.26 2wcg s ASN 234 CO 0.00 -0.72 0.74 -0.62 -3.72 0.00 0.00 177.10 172.78 2wcg n GLU 235 N 5.52 -0.81 -0.05 0.43 1.02 0.71 -4.79 120.64 122.68 2wcg n GLU 235 Ca 0.13 0.33 0.23 0.00 -0.02 0.00 0.00 57.16 57.84 2wcg n GLU 235 Cb 0.44 -3.35 0.71 0.00 -0.02 0.00 0.00 31.44 29.22 2wcg n GLU 235 CO 0.00 0.00 0.00 -1.00 1.18 0.00 0.00 177.13 177.31 2wcg h PRO 236 N -2.08 0.00 0.00 3.49 0.13 -1.75 -1.13 132.00 130.66 2wcg h PRO 236 Ca -0.67 0.00 -0.02 0.00 -0.87 0.00 0.00 66.00 64.43 2wcg h PRO 236 Cb 1.38 0.00 -0.00 0.00 0.13 0.00 0.00 31.00 32.50 2wcg h PRO 236 CO 0.49 0.00 -0.12 0.66 -0.23 0.00 0.00 178.00 178.80 2wcg h SER 237 N 0.00 0.00 -0.85 1.44 4.64 -1.86 -1.30 113.55 115.62 2wcg h SER 237 Ca 0.31 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 61.64 2wcg h SER 237 Cb 1.28 0.00 -0.04 0.00 -0.31 0.00 0.00 62.40 63.33 2wcg h SER 237 CO -0.00 0.12 0.56 0.00 -0.87 0.00 0.00 176.83 176.63 2wcg h ALA 238 N 1.88 1.08 0.00 5.18 0.00 -1.54 -1.30 119.26 124.57 2wcg h ALA 238 Ca -0.00 -0.06 0.00 0.00 0.00 0.00 0.00 54.91 54.85 2wcg h ALA 238 Cb 0.57 -0.34 0.00 0.00 0.00 0.00 0.00 17.79 18.02 2wcg h ALA 238 CO 0.02 0.47 0.00 0.41 0.00 0.00 0.00 179.25 180.15 2wcg n GLY 239 N -1.33 -0.56 0.59 0.00 0.00 -1.20 -1.42 105.19 101.27 2wcg n GLY 239 Ca 0.09 -0.04 0.13 0.00 0.00 0.00 0.00 46.02 46.21 2wcg n GLY 239 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 2wcg n LEU 240 N -1.30 1.83 -4.43 0.99 4.77 -0.49 -1.73 117.00 116.64 2wcg n LEU 240 Ca 0.04 -0.62 -0.35 0.00 -0.03 0.00 0.00 56.01 55.04 2wcg n LEU 240 Cb 0.06 -0.01 -0.13 0.00 -2.33 0.00 0.00 43.42 41.02 2wcg n LEU 240 CO 0.06 0.31 -0.33 -0.22 -1.33 0.00 0.00 177.39 175.88 2wcg s LEU 241 N -1.97 3.24 0.20 2.23 2.96 -0.51 -4.97 118.68 119.87 2wcg s LEU 241 Ca 0.36 -0.23 -0.32 0.00 -0.22 0.00 0.00 54.13 53.71 2wcg s LEU 241 Cb 0.21 -1.83 -0.13 0.00 0.50 0.00 0.00 46.19 44.93 2wcg s LEU 241 CO 0.32 0.03 1.66 -0.24 -1.32 0.00 0.00 176.35 176.80 2wcg n SER 242 N 4.49 3.66 0.00 3.68 2.88 -1.26 -2.01 113.62 125.06 2wcg n SER 242 Ca -0.17 1.08 0.00 0.00 -1.33 0.00 0.00 58.87 58.45 2wcg n SER 242 Cb 0.52 -1.53 0.00 0.00 -0.75 0.00 0.00 64.21 62.45 2wcg n SER 242 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2wcg n GLY 243 N 3.61 0.93 3.65 0.46 0.00 -1.26 -4.86 105.19 107.71 2wcg n GLY 243 Ca 0.16 0.00 -0.50 0.00 0.00 0.00 0.00 46.02 45.68 2wcg n GLY 243 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 2wcg n TYR 244 N -2.14 2.01 0.19 1.61 9.36 -0.85 -4.59 117.16 122.75 2wcg n TYR 244 Ca 0.00 0.38 0.08 0.00 3.32 0.00 0.00 57.90 61.68 2wcg n TYR 244 Cb 0.00 -2.48 0.20 0.00 -0.63 0.00 0.00 39.34 36.42 2wcg n TYR 244 CO 0.00 0.00 0.00 -1.00 0.22 0.00 0.00 176.86 176.08 2wcg h PRO 245 N 6.28 0.00 0.00 2.98 0.13 -1.92 0.29 132.00 139.76 2wcg h PRO 245 Ca -0.47 0.00 -0.08 0.00 -0.87 0.00 0.00 66.00 64.59 2wcg h PRO 245 Cb 1.29 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.41 2wcg h PRO 245 CO 0.87 0.24 -0.06 1.97 -0.23 0.00 0.00 178.00 180.79 2wcg n PHE 246 N -3.20 0.04 -1.70 1.56 1.16 -1.26 -4.80 117.46 109.27 2wcg n PHE 246 Ca 0.02 -0.34 -0.44 0.00 -1.87 0.00 0.00 57.45 54.82 2wcg n PHE 246 Cb 0.58 -0.01 -0.03 0.00 -1.61 0.00 0.00 39.48 38.41 2wcg n PHE 246 CO 0.00 0.00 0.00 1.04 -1.87 0.00 0.00 176.76 175.93 2wcg n GLN 247 N -0.13 2.31 -3.79 3.97 3.00 -1.26 -4.32 117.38 117.16 2wcg n GLN 247 Ca -0.01 0.82 -0.04 0.00 -0.01 0.00 0.00 57.00 57.76 2wcg n GLN 247 Cb 0.08 -2.55 -0.01 0.00 0.00 0.00 0.00 30.24 27.76 2wcg n GLN 247 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2wcg s LEU 249 N -3.02 -1.20 0.12 0.00 2.96 -1.20 -4.47 118.68 111.87 2wcg s LEU 249 Ca 0.14 1.03 -0.30 0.00 -0.22 0.00 0.00 54.13 54.77 2wcg s LEU 249 Cb -0.02 2.12 -0.06 0.00 0.50 0.00 0.00 46.19 48.73 2wcg s LEU 249 CO 0.04 -0.23 0.97 -0.83 -1.32 0.00 0.00 176.35 174.98 2wcg s GLY 250 N 2.86 3.00 -0.03 7.98 0.00 0.29 -4.43 107.32 116.99 2wcg s GLY 250 Ca 0.10 0.59 0.01 0.00 0.00 0.00 0.00 44.72 45.42 2wcg s GLY 250 CO -0.19 1.46 -0.02 -1.36 0.00 0.00 0.00 173.10 172.98 2wcg s PHE 251 N -0.07 0.44 0.85 1.90 0.40 -0.50 -4.55 117.98 116.45 2wcg s PHE 251 Ca 0.47 -0.07 -0.11 0.00 -0.60 0.00 0.00 56.93 56.62 2wcg s PHE 251 Cb -0.24 -0.45 0.10 0.00 0.51 0.00 0.00 43.02 42.94 2wcg s PHE 251 CO 0.30 -0.13 1.09 0.95 0.70 0.00 0.00 175.22 178.14 2wcg s THR 252 N 0.82 2.86 0.51 0.64 -4.23 -1.26 -4.26 115.64 110.72 2wcg s THR 252 Ca -0.09 0.28 0.16 0.00 -1.18 0.00 0.00 61.69 60.86 2wcg s THR 252 Cb -0.12 -2.83 0.26 0.00 1.34 0.00 0.00 72.50 71.14 2wcg s THR 252 CO -0.01 -0.37 2.12 1.55 -0.54 0.00 0.00 174.62 177.38 2wcg h PRO 253 N -1.37 0.00 -0.52 3.99 0.13 -1.99 -0.79 132.00 131.45 2wcg h PRO 253 Ca -0.48 0.00 -0.09 0.00 -0.87 0.00 0.00 66.00 64.56 2wcg h PRO 253 Cb 1.27 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.38 2wcg h PRO 253 CO 0.55 0.03 -0.01 0.93 -0.23 0.00 0.00 178.00 179.28 2wcg h GLU 254 N 0.00 0.93 -0.37 0.86 3.07 -1.93 0.14 114.58 117.29 2wcg h GLU 254 Ca -0.00 -0.30 -0.11 0.00 -0.50 0.00 0.00 59.36 58.45 2wcg h GLU 254 Cb 0.06 -0.08 -0.01 0.00 -0.84 0.00 0.00 28.75 27.88 2wcg h GLU 254 CO 0.00 0.96 -0.19 1.25 -1.40 0.00 0.00 179.01 179.63 2wcg h HIS 255 N 0.80 0.90 -0.31 4.33 2.76 -1.71 -1.22 115.15 120.71 2wcg h HIS 255 Ca 0.15 -0.23 -0.05 0.00 -2.20 0.00 0.00 60.37 58.04 2wcg h HIS 255 Cb 0.54 -0.21 -0.01 0.00 1.55 0.00 0.00 27.41 29.29 2wcg h HIS 255 CO 0.04 0.97 -0.01 0.37 -1.30 0.00 0.00 177.93 178.00 2wcg h GLN 256 N 0.57 0.55 -0.43 5.26 4.15 -1.05 0.30 115.11 124.44 2wcg h GLN 256 Ca 0.08 -0.18 0.07 0.00 0.77 0.00 0.00 58.65 59.39 2wcg h GLN 256 Cb 0.74 -0.05 -0.09 0.00 0.21 0.00 0.00 27.48 28.29 2wcg h GLN 256 CO 0.06 0.70 -0.45 -0.09 -1.93 0.00 0.00 178.83 177.11 2wcg h ARG 257 N 0.34 -0.31 -0.04 1.69 2.43 -0.61 -1.29 114.38 116.59 2wcg h ARG 257 Ca 0.09 0.02 -0.14 0.00 -0.81 0.00 0.00 59.98 59.14 2wcg h ARG 257 Cb 0.46 0.07 -0.01 0.00 -0.42 0.00 0.00 29.97 30.06 2wcg h ARG 257 CO 0.02 -0.21 -0.62 -0.44 -1.51 0.00 0.00 179.97 177.21 2wcg h ASP 258 N -0.32 0.16 -0.26 -3.80 3.32 -1.05 -1.08 116.42 113.38 2wcg h ASP 258 Ca 0.13 -0.09 -0.02 0.00 0.02 0.00 0.00 57.03 57.06 2wcg h ASP 258 Cb 0.58 -0.05 -0.01 0.00 0.22 0.00 0.00 39.33 40.08 2wcg h ASP 258 CO -0.60 0.74 0.07 0.15 -1.72 0.00 0.00 179.24 177.88 2wcg h PHE 259 N 0.10 0.44 -0.45 4.55 3.57 -0.86 -0.79 116.94 123.50 2wcg h PHE 259 Ca -0.01 -0.05 -0.02 0.00 3.53 0.00 0.00 57.97 61.42 2wcg h PHE 259 Cb 1.12 -0.12 -0.02 0.00 2.79 0.00 0.00 35.95 39.71 2wcg h PHE 259 CO 0.01 0.49 0.19 0.82 -2.23 0.00 0.00 178.31 177.59 2wcg h ILE 260 N 0.25 1.20 -0.18 1.41 2.04 -1.10 0.11 117.51 121.24 2wcg h ILE 260 Ca 0.08 -0.61 -0.05 0.00 1.00 0.00 0.00 64.86 65.29 2wcg h ILE 260 Cb 0.27 0.76 -0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2wcg h ILE 260 CO -0.00 0.23 -0.09 0.00 0.00 0.00 0.00 178.15 178.28 2wcg h ALA 261 N 1.04 0.26 0.08 1.87 0.00 -1.13 0.49 119.26 121.86 2wcg h ALA 261 Ca 0.15 -0.28 -0.29 0.00 0.00 0.00 0.00 54.91 54.49 2wcg h ALA 261 Cb 0.17 -0.06 -0.02 0.00 0.00 0.00 0.00 17.79 17.88 2wcg h ALA 261 CO -0.01 0.08 -1.49 0.00 0.00 0.00 0.00 179.25 177.83 2wcg h ARG 262 N 0.07 0.16 0.00 0.00 3.08 -1.24 -3.42 114.38 113.04 2wcg h ARG 262 Ca 0.04 -0.28 0.00 0.00 0.07 0.00 0.00 59.98 59.82 2wcg h ARG 262 Cb 0.58 0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.73 2wcg h ARG 262 CO 0.03 0.98 0.00 -0.25 -1.07 0.00 0.00 179.97 179.66 2wcg n ASP 263 N -3.36 0.55 -0.00 7.04 8.00 -0.57 -4.72 116.55 123.49 2wcg n ASP 263 Ca -0.14 0.14 -0.13 0.00 0.71 0.00 0.00 54.79 55.36 2wcg n ASP 263 Cb 1.03 -0.12 -0.10 0.00 -0.02 0.00 0.00 41.12 41.91 2wcg n ASP 263 CO 0.00 0.00 0.00 0.25 -0.39 0.00 0.00 177.20 177.06 2wcg h LEU 264 N 0.00 -0.01 0.16 0.64 5.85 -0.92 -1.24 115.31 119.79 2wcg h LEU 264 Ca 0.00 -0.42 0.02 0.00 0.84 0.00 0.00 57.88 58.31 2wcg h LEU 264 Cb 0.00 0.00 -0.04 0.00 0.37 0.00 0.00 40.66 40.99 2wcg h LEU 264 CO 0.00 0.42 -0.36 1.23 -0.34 0.00 0.00 178.44 179.39 2wcg h GLY 265 N -0.44 -0.73 0.87 3.75 0.00 -1.08 -1.68 103.07 103.75 2wcg h GLY 265 Ca -0.00 0.43 0.05 0.00 0.00 0.00 0.00 47.33 47.81 2wcg h GLY 265 CO 0.00 -0.27 0.63 -2.55 0.00 0.00 0.00 176.54 174.36 2wcg h PRO 266 N -0.62 1.15 -0.32 4.80 0.11 -1.74 -0.17 132.00 135.21 2wcg h PRO 266 Ca 0.02 -0.07 -0.07 0.00 0.11 0.00 0.00 66.00 65.99 2wcg h PRO 266 Cb 0.63 -0.26 -0.01 0.00 0.11 0.00 0.00 31.00 31.47 2wcg h PRO 266 CO -0.19 0.76 -0.07 1.15 -0.21 0.00 0.00 178.00 179.44 2wcg h THR 267 N 1.19 1.28 -0.35 -1.15 2.02 -1.05 -1.40 112.91 113.44 2wcg h THR 267 Ca 0.40 -1.12 -0.09 0.00 0.77 0.00 0.00 66.41 66.37 2wcg h THR 267 Cb 0.07 1.34 -0.01 0.00 -1.74 0.00 0.00 68.15 67.81 2wcg h THR 267 CO -0.13 0.36 -0.12 -0.07 0.37 0.00 0.00 175.52 175.93 2wcg h LEU 268 N 0.40 0.71 -1.89 2.58 3.38 -1.09 -3.10 115.31 116.30 2wcg h LEU 268 Ca 0.08 -0.38 -0.03 0.00 0.09 0.00 0.00 57.88 57.64 2wcg h LEU 268 Cb 0.56 -0.20 -0.00 0.00 0.09 0.00 0.00 40.66 41.12 2wcg h LEU 268 CO 0.03 0.94 -0.12 0.00 0.09 0.00 0.00 178.44 179.37 2wcg h ALA 269 N 0.80 1.52 -0.44 1.53 0.00 -0.88 -1.94 119.26 119.85 2wcg h ALA 269 Ca 0.08 -0.11 0.00 0.00 0.00 0.00 0.00 54.91 54.88 2wcg h ALA 269 Cb 0.64 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.41 2wcg h ALA 269 CO 0.04 0.15 0.00 -1.71 0.00 0.00 0.00 179.25 177.73 2wcg n ASN 270 N -3.99 3.57 -4.66 0.00 5.15 -0.54 -4.72 115.26 110.06 2wcg n ASN 270 Ca -0.02 -2.36 -0.30 0.00 -0.60 0.00 0.00 54.58 51.30 2wcg n ASN 270 Cb 0.21 -0.50 -0.10 0.00 -0.53 0.00 0.00 39.78 38.86 2wcg n ASN 270 CO 0.00 0.00 0.00 -0.94 1.40 0.00 0.00 177.26 177.72 2wcg s SER 271 N -0.73 3.92 0.02 1.20 1.04 -0.74 -4.99 113.70 113.42 2wcg s SER 271 Ca 0.36 -1.48 0.10 0.00 0.48 0.00 0.00 55.95 55.40 2wcg s SER 271 Cb 0.24 -0.03 0.42 0.00 0.10 0.00 0.00 66.02 66.75 2wcg s SER 271 CO 0.16 -0.61 1.31 0.35 0.98 0.00 0.00 173.24 175.42 2wcg n THR 272 N -1.07 1.36 -0.97 2.02 -2.24 -1.26 -2.05 114.28 110.07 2wcg n THR 272 Ca -0.10 0.35 0.07 0.00 -2.27 0.00 0.00 64.05 62.09 2wcg n THR 272 Cb 0.67 -1.21 0.33 0.00 -2.10 0.00 0.00 70.33 68.03 2wcg n THR 272 CO 0.00 0.00 0.00 1.41 -0.57 0.00 0.00 175.07 175.91 2wcg n HIS 273 N -1.54 1.60 0.33 4.78 8.25 -1.26 -4.65 115.22 122.72 2wcg n HIS 273 Ca 0.02 -0.85 0.19 0.00 -0.26 0.00 0.00 57.72 56.82 2wcg n HIS 273 Cb 0.11 -0.44 1.01 0.00 1.12 0.00 0.00 29.99 31.78 2wcg n HIS 273 CO 0.00 0.00 0.00 1.12 0.64 0.00 0.00 176.34 178.10 2wcg h HIS 274 N 2.89 0.00 0.00 4.41 -0.00 -1.34 -2.09 115.15 119.02 2wcg h HIS 274 Ca 0.02 0.00 0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2wcg h HIS 274 Cb 1.77 0.00 0.00 0.00 -0.00 0.00 0.00 27.41 29.18 2wcg h HIS 274 CO 0.85 0.00 -0.39 0.09 -0.00 0.00 0.00 177.93 178.48 2wcg n ASN 275 N -3.01 0.39 -4.68 3.10 3.02 -1.26 -4.80 115.26 108.01 2wcg n ASN 275 Ca -0.02 -0.08 -0.45 0.00 -0.03 0.00 0.00 54.58 54.00 2wcg n ASN 275 Cb 0.24 0.09 -0.04 0.00 -0.61 0.00 0.00 39.78 39.46 2wcg n ASN 275 CO 0.00 0.00 0.00 0.52 -2.62 0.00 0.00 177.26 175.16 2wcg n VAL 276 N -1.50 0.28 -2.29 2.41 0.31 -0.79 -4.99 118.33 111.75 2wcg n VAL 276 Ca 0.06 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.97 2wcg n VAL 276 Cb 0.34 -1.88 -0.01 0.00 -0.91 0.00 0.00 33.84 31.37 2wcg n VAL 276 CO 0.00 0.00 0.00 -0.13 -1.32 0.00 0.00 176.83 175.38 2wcg s ARG 277 N 2.35 3.75 -0.18 5.55 1.81 -0.19 -4.87 118.95 127.17 2wcg s ARG 277 Ca 0.83 1.72 -0.03 0.00 -1.72 0.00 0.00 55.73 56.52 2wcg s ARG 277 Cb -0.59 -2.36 -0.02 0.00 -0.45 0.00 0.00 34.95 31.53 2wcg s ARG 277 CO 0.40 -0.54 -0.06 -1.17 -0.68 0.00 0.00 175.30 173.25 2wcg s LEU 278 N -3.09 3.00 -0.16 2.53 2.96 -1.26 -0.48 118.68 122.18 2wcg s LEU 278 Ca 0.64 -0.28 -0.05 0.00 -0.22 0.00 0.00 54.13 54.22 2wcg s LEU 278 Cb -0.27 -1.73 -0.03 0.00 0.50 0.00 0.00 46.19 44.65 2wcg s LEU 278 CO 0.33 0.09 0.02 -0.76 -1.32 0.00 0.00 176.35 174.70 2wcg s LEU 279 N 0.83 3.56 0.66 -0.68 1.43 0.13 -1.39 118.68 123.23 2wcg s LEU 279 Ca -0.02 0.00 -0.02 0.00 -1.03 0.00 0.00 54.13 53.07 2wcg s LEU 279 Cb -0.15 -1.88 0.08 0.00 0.03 0.00 0.00 46.19 44.28 2wcg s LEU 279 CO 0.01 0.19 0.93 0.00 0.23 0.00 0.00 176.35 177.71 2wcg s MET 280 N 0.25 2.05 0.55 1.70 0.23 -0.16 -1.83 119.30 122.09 2wcg s MET 280 Ca 0.01 -0.82 0.00 0.00 -1.03 0.00 0.00 55.69 53.85 2wcg s MET 280 Cb -0.13 -2.35 0.00 0.00 -1.53 0.00 0.00 34.83 30.82 2wcg s MET 280 CO 0.01 -1.17 0.00 -0.11 -2.03 0.00 0.00 175.02 171.72 2wcg n LEU 281 N -2.70 0.00 -3.82 0.18 7.94 -1.26 -0.75 117.00 116.59 2wcg n LEU 281 Ca 0.11 0.00 -0.24 0.00 -1.11 0.00 0.00 56.01 54.77 2wcg n LEU 281 Cb 0.60 0.00 0.02 0.00 0.53 0.00 0.00 43.42 44.57 2wcg n LEU 281 CO 0.45 0.00 -0.08 -0.67 -1.11 0.00 0.00 177.39 175.98 2wcg n ASP 282 N 4.29 -1.64 -2.93 1.96 2.03 0.75 -4.31 116.55 116.71 2wcg n ASP 282 Ca 0.00 -0.87 -0.12 0.00 0.52 0.00 0.00 54.79 54.32 2wcg n ASP 282 Cb 0.00 -3.73 -0.00 0.00 -0.72 0.00 0.00 41.12 36.67 2wcg n ASP 282 CO 0.00 0.00 0.00 -0.67 -1.92 0.00 0.00 177.20 174.61 2wcg n ASP 283 N -2.99 -1.81 -4.63 1.67 -0.08 -1.18 -0.20 116.55 107.32 2wcg n ASP 283 Ca -0.23 -2.79 -0.45 0.00 -1.51 0.00 0.00 54.79 49.81 2wcg n ASP 283 Cb 0.65 3.17 -0.02 0.00 2.34 0.00 0.00 41.12 47.26 2wcg n ASP 283 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 2wcg n GLN 284 N -0.57 1.62 0.12 -0.67 1.13 -1.26 -0.73 117.38 117.02 2wcg n GLN 284 Ca -0.04 0.57 0.12 0.00 -1.94 0.00 0.00 57.00 55.71 2wcg n GLN 284 Cb 0.60 -2.09 0.47 0.00 0.11 0.00 0.00 30.24 29.33 2wcg n GLN 284 CO 0.00 0.00 0.00 2.89 -1.44 0.00 0.00 177.06 178.51 2wcg n ARG 285 N 1.35 0.18 0.21 -1.09 1.85 -1.24 -1.87 116.66 116.05 2wcg n ARG 285 Ca 0.11 0.39 0.14 0.00 -1.00 0.00 0.00 57.85 57.49 2wcg n ARG 285 Cb 0.31 -1.83 0.76 0.00 -1.05 0.00 0.00 32.46 30.64 2wcg n ARG 285 CO 0.00 0.00 0.00 1.37 -0.01 0.00 0.00 177.63 178.99 2wcg h LEU 286 N 0.00 0.00 -0.00 2.89 8.10 -1.89 -0.65 115.31 123.76 2wcg h LEU 286 Ca 0.00 0.00 0.00 0.00 0.11 0.00 0.00 57.88 57.99 2wcg h LEU 286 Cb 0.38 0.00 0.00 0.00 -0.44 0.00 0.00 40.66 40.60 2wcg h LEU 286 CO 0.00 0.00 0.00 0.18 -4.11 0.00 0.00 178.44 174.51 2wcg n LEU 287 N -2.49 0.40 -4.85 0.17 4.77 -0.78 -4.73 117.00 109.49 2wcg n LEU 287 Ca -0.02 0.54 -0.35 0.00 -0.03 0.00 0.00 56.01 56.15 2wcg n LEU 287 Cb 0.06 -0.41 -0.06 0.00 -2.33 0.00 0.00 43.42 40.68 2wcg n LEU 287 CO 0.13 -0.09 0.15 -0.76 -1.33 0.00 0.00 177.39 175.49 2wcg s LEU 288 N -3.75 4.37 0.00 2.23 1.43 -0.25 -1.36 118.68 121.35 2wcg s LEU 288 Ca 0.12 0.94 0.27 0.00 -1.03 0.00 0.00 54.13 54.43 2wcg s LEU 288 Cb 0.16 -3.04 0.96 0.00 0.03 0.00 0.00 46.19 44.30 2wcg s LEU 288 CO 0.56 0.17 1.69 -0.81 0.23 0.00 0.00 176.35 178.19 2wcg n PRO 289 N 1.01 1.33 -0.06 1.29 -0.04 -1.26 -4.56 135.00 132.70 2wcg n PRO 289 Ca -0.08 -0.76 -0.07 0.00 -0.04 0.00 0.00 63.50 62.55 2wcg n PRO 289 Cb 0.52 -1.48 -0.01 0.00 -0.04 0.00 0.00 33.50 32.49 2wcg n PRO 289 CO 0.00 0.00 0.00 1.25 -0.04 0.00 0.00 175.50 176.71 2wcg h HIS 290 N 1.86 -0.54 -0.86 0.54 2.76 -1.85 -1.08 115.15 115.99 2wcg h HIS 290 Ca 0.00 0.04 -0.02 0.00 -2.20 0.00 0.00 60.37 58.18 2wcg h HIS 290 Cb 0.49 0.28 -0.04 0.00 1.55 0.00 0.00 27.41 29.69 2wcg h HIS 290 CO 0.00 -0.28 0.44 -1.49 -1.30 0.00 0.00 177.93 175.30 2wcg h TRP 291 N -0.19 1.21 -0.75 5.26 4.06 -1.58 -1.35 115.95 122.60 2wcg h TRP 291 Ca 0.15 -0.04 -0.02 0.00 2.06 0.00 0.00 58.89 61.03 2wcg h TRP 291 Cb 0.42 -0.38 -0.03 0.00 -1.00 0.00 0.00 29.16 28.16 2wcg h TRP 291 CO -0.38 0.86 0.39 0.00 -3.56 0.00 0.00 178.44 175.74 2wcg h ALA 292 N 1.27 0.97 -0.47 1.49 0.00 -1.63 -1.80 119.26 119.08 2wcg h ALA 292 Ca 0.30 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.05 2wcg h ALA 292 Cb 0.08 -0.30 -0.02 0.00 0.00 0.00 0.00 17.79 17.55 2wcg h ALA 292 CO -0.04 0.50 0.20 0.87 0.00 0.00 0.00 179.25 180.79 2wcg h LYS 293 N 1.05 0.69 -0.28 0.00 1.57 -0.86 0.31 116.57 119.05 2wcg h LYS 293 Ca 0.26 -0.11 -0.03 0.00 -1.87 0.00 0.00 60.65 58.90 2wcg h LYS 293 Cb 0.08 -0.12 -0.01 0.00 0.08 0.00 0.00 32.23 32.26 2wcg h LYS 293 CO -0.04 0.60 0.07 0.28 -0.57 0.00 0.00 179.45 179.80 2wcg h VAL 294 N 0.61 1.21 0.02 0.50 2.07 -1.06 -2.93 116.25 116.67 2wcg h VAL 294 Ca 0.16 -0.70 -0.00 0.00 0.82 0.00 0.00 66.70 66.97 2wcg h VAL 294 Cb 0.16 1.15 0.00 0.00 -1.52 0.00 0.00 31.29 31.08 2wcg h VAL 294 CO -0.02 0.23 -0.01 0.58 0.02 0.00 0.00 177.57 178.38 2wcg h VAL 295 N 0.28 1.52 0.00 2.57 2.07 -1.30 -3.38 116.25 118.01 2wcg h VAL 295 Ca 0.09 -1.80 0.00 0.00 0.82 0.00 0.00 66.70 65.81 2wcg h VAL 295 Cb 0.28 2.70 0.00 0.00 -1.52 0.00 0.00 31.29 32.75 2wcg h VAL 295 CO 0.00 0.45 -0.04 0.18 0.02 0.00 0.00 177.57 178.18 2wcg n LEU 296 N -4.72 0.38 -0.71 2.57 4.77 0.11 -2.49 117.00 116.91 2wcg n LEU 296 Ca -0.09 0.50 0.11 0.00 -0.03 0.00 0.00 56.01 56.50 2wcg n LEU 296 Cb 0.37 -0.40 0.33 0.00 -2.33 0.00 0.00 43.42 41.38 2wcg n LEU 296 CO 0.32 -0.07 0.75 0.35 -1.33 0.00 0.00 177.39 177.41 2wcg n THR 297 N -1.84 0.27 -3.38 -5.08 -2.24 -1.11 -4.61 114.28 96.30 2wcg n THR 297 Ca 0.06 -0.45 -0.42 0.00 -2.27 0.00 0.00 64.05 60.97 2wcg n THR 297 Cb 0.38 0.56 -0.09 0.00 -2.10 0.00 0.00 70.33 69.08 2wcg n THR 297 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 2wcg s ASP 298 N -1.56 6.17 0.55 3.42 -1.08 -1.04 -4.98 116.67 118.16 2wcg s ASP 298 Ca 0.34 -0.51 0.32 0.00 -0.52 0.00 0.00 52.55 52.17 2wcg s ASP 298 Cb 0.19 -2.20 1.59 0.00 -1.46 0.00 0.00 42.92 41.04 2wcg s ASP 298 CO 0.28 -0.45 2.09 1.55 0.52 0.00 0.00 175.17 179.16 2wcg h PRO 299 N 8.60 0.00 -0.24 4.34 0.13 -1.86 0.77 132.00 143.75 2wcg h PRO 299 Ca -0.28 0.00 -0.13 0.00 -0.87 0.00 0.00 66.00 64.72 2wcg h PRO 299 Cb 1.13 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.25 2wcg h PRO 299 CO 0.74 0.07 -0.39 0.93 -0.23 0.00 0.00 178.00 179.12 2wcg h GLU 300 N 0.00 0.56 0.05 0.86 4.39 -1.93 -2.75 114.58 115.76 2wcg h GLU 300 Ca -0.00 -0.28 -0.09 0.00 0.34 0.00 0.00 59.36 59.34 2wcg h GLU 300 Cb 0.34 0.00 0.01 0.00 -0.10 0.00 0.00 28.75 29.00 2wcg h GLU 300 CO 0.01 0.86 -0.37 0.00 -1.16 0.00 0.00 179.01 178.35 2wcg h ALA 301 N 1.11 -0.03 -0.71 3.43 0.00 -1.53 -3.36 119.26 118.18 2wcg h ALA 301 Ca 0.04 -0.57 0.12 0.00 0.00 0.00 0.00 54.91 54.50 2wcg h ALA 301 Cb 0.89 0.04 -0.05 0.00 0.00 0.00 0.00 17.79 18.67 2wcg h ALA 301 CO 0.08 0.16 0.47 0.00 0.00 0.00 0.00 179.25 179.96 2wcg h ALA 302 N 0.09 2.00 0.00 0.00 0.00 -0.91 -1.79 119.26 118.64 2wcg h ALA 302 Ca -0.06 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.84 2wcg h ALA 302 Cb 1.25 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 18.95 2wcg h ALA 302 CO 0.07 -0.17 0.00 1.57 0.00 0.00 0.00 179.25 180.72 2wcg h LYS 303 N 0.48 0.00 0.00 0.00 2.10 -1.63 -2.50 116.57 115.02 2wcg h LYS 303 Ca 0.34 0.00 0.00 0.00 -2.00 0.00 0.00 60.65 58.99 2wcg h LYS 303 Cb 0.65 0.00 0.00 0.00 -0.90 0.00 0.00 32.23 31.98 2wcg h LYS 303 CO -0.11 0.00 -1.16 0.66 -2.00 0.00 0.00 179.45 176.84 2wcg n TYR 304 N -2.52 0.03 -3.40 0.07 4.02 -0.68 -4.92 117.16 109.76 2wcg n TYR 304 Ca 0.01 0.01 -0.41 0.00 -0.01 0.00 0.00 57.90 57.50 2wcg n TYR 304 Cb 0.21 -0.15 -0.09 0.00 -0.02 0.00 0.00 39.34 39.28 2wcg n TYR 304 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 176.86 175.93 2wcg s VAL 305 N -3.12 5.17 0.02 -0.72 1.01 -0.94 -4.32 120.40 117.49 2wcg s VAL 305 Ca 0.05 -0.01 -0.11 0.00 0.00 0.00 0.00 61.98 61.90 2wcg s VAL 305 Cb 0.16 -3.84 -0.33 0.00 0.00 0.00 0.00 36.38 32.37 2wcg s VAL 305 CO 0.86 -0.12 0.94 -0.74 0.00 0.00 0.00 175.10 176.04 2wcg h HIS 306 N 8.49 0.79 -2.55 5.22 2.76 -1.54 -3.49 115.15 124.84 2wcg h HIS 306 Ca -0.29 -0.57 -0.01 0.00 -2.20 0.00 0.00 60.37 57.29 2wcg h HIS 306 Cb 1.14 -0.03 0.01 0.00 1.55 0.00 0.00 27.41 30.07 2wcg h HIS 306 CO 0.68 1.52 0.16 0.41 -1.30 0.00 0.00 177.93 179.40 2wcg n GLY 307 N 1.71 1.42 3.01 5.26 0.00 -1.19 -3.26 105.19 112.12 2wcg n GLY 307 Ca -0.17 -1.15 -0.27 0.00 0.00 0.00 0.00 46.02 44.43 2wcg n GLY 307 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 2wcg s ILE 308 N -2.49 1.30 -0.12 -0.61 1.01 0.12 -0.98 121.20 119.42 2wcg s ILE 308 Ca 0.09 -0.51 -0.11 0.00 0.00 0.00 0.00 60.65 60.11 2wcg s ILE 308 Cb -0.03 -1.22 -0.05 0.00 0.01 0.00 0.00 42.46 41.18 2wcg s ILE 308 CO 0.07 0.40 0.25 0.00 0.00 0.00 0.00 174.94 175.65 2wcg s ALA 309 N 1.13 3.72 0.11 9.38 0.00 0.07 -1.01 121.76 135.17 2wcg s ALA 309 Ca -0.05 -0.50 0.09 0.00 0.00 0.00 0.00 51.96 51.51 2wcg s ALA 309 Cb -0.14 -2.22 -0.04 0.00 0.00 0.00 0.00 23.12 20.71 2wcg s ALA 309 CO -0.03 0.35 -0.23 0.14 0.00 0.00 0.00 175.76 176.00 2wcg s VAL 310 N -0.35 1.91 0.25 0.00 -7.23 0.65 -0.18 120.40 115.45 2wcg s VAL 310 Ca 0.16 -1.64 0.09 0.00 -1.81 0.00 0.00 61.98 58.78 2wcg s VAL 310 Cb -0.13 -1.72 -0.04 0.00 0.56 0.00 0.00 36.38 35.05 2wcg s VAL 310 CO 0.05 -0.02 0.05 -1.00 -0.31 0.00 0.00 175.10 173.87 2wcg s HIS 311 N -1.17 2.83 -2.48 2.82 3.76 0.09 -1.05 115.29 120.10 2wcg s HIS 311 Ca 0.09 -0.18 0.25 0.00 -0.15 0.00 0.00 55.06 55.07 2wcg s HIS 311 Cb -0.10 -1.28 0.35 0.00 1.11 0.00 0.00 32.58 32.67 2wcg s HIS 311 CO 0.05 0.58 1.33 -2.67 -0.85 0.00 0.00 174.74 173.18 2wcg n TRP 312 N -0.88 0.00 0.16 1.40 4.27 -1.04 -3.59 117.44 117.75 2wcg n TRP 312 Ca -0.07 0.00 0.00 0.00 -3.89 0.00 0.00 57.50 53.54 2wcg n TRP 312 Cb 0.58 -0.02 0.25 0.00 -1.36 0.00 0.00 31.31 30.77 2wcg n TRP 312 CO 0.00 0.00 0.00 1.88 -2.29 0.00 0.00 177.69 177.28 2wcg h TYR 313 N 3.20 0.00 -0.55 -2.67 -1.99 -1.96 -2.05 116.97 110.95 2wcg h TYR 313 Ca 0.00 0.00 -0.35 0.00 2.00 0.00 0.00 58.73 60.38 2wcg h TYR 313 Cb 0.78 0.00 -0.22 0.00 2.00 0.00 0.00 36.73 39.29 2wcg h TYR 313 CO 0.00 0.51 -0.13 1.28 -0.00 0.00 0.00 178.16 179.82 2wcg n LEU 314 N -3.91 4.86 0.25 3.88 4.77 -1.26 -4.75 117.00 120.83 2wcg n LEU 314 Ca -0.01 -4.11 0.13 0.00 -0.03 0.00 0.00 56.01 51.99 2wcg n LEU 314 Cb 0.53 -0.61 0.79 0.00 -2.33 0.00 0.00 43.42 41.79 2wcg n LEU 314 CO 0.41 1.51 1.11 0.44 -1.33 0.00 0.00 177.39 179.53 2wcg h ASP 315 N 1.44 0.00 0.57 -1.43 3.32 -1.69 -2.22 116.42 116.41 2wcg h ASP 315 Ca 0.32 0.00 -0.01 0.00 0.02 0.00 0.00 57.03 57.36 2wcg h ASP 315 Cb 1.52 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 41.07 2wcg h ASP 315 CO 0.66 0.00 -0.07 2.19 -1.72 0.00 0.00 179.24 180.30 2wcg h PHE 316 N 0.00 0.00 -0.01 4.55 -5.15 -1.85 -0.75 116.94 113.73 2wcg h PHE 316 Ca 0.03 0.00 0.00 0.00 -0.20 0.00 0.00 57.97 57.80 2wcg h PHE 316 Cb 0.15 0.00 0.00 0.00 0.22 0.00 0.00 35.95 36.32 2wcg h PHE 316 CO 0.00 0.07 -0.13 1.28 -2.00 0.00 0.00 178.31 177.53 2wcg n LEU 317 N -3.31 0.92 -3.42 2.10 4.77 -0.83 -4.81 117.00 112.42 2wcg n LEU 317 Ca -0.01 -0.23 -0.27 0.00 -0.03 0.00 0.00 56.01 55.47 2wcg n LEU 317 Cb 0.25 -0.10 -0.11 0.00 -2.33 0.00 0.00 43.42 41.13 2wcg n LEU 317 CO 0.27 0.16 -0.31 0.00 -1.33 0.00 0.00 177.39 176.19 2wcg s ALA 318 N -2.33 1.01 0.15 -1.18 0.00 -0.29 -4.95 121.76 114.16 2wcg s ALA 318 Ca 0.31 -2.04 -0.34 0.00 0.00 0.00 0.00 51.96 49.89 2wcg s ALA 318 Cb 0.20 -1.63 -0.15 0.00 0.00 0.00 0.00 23.12 21.54 2wcg s ALA 318 CO 0.45 -2.06 1.35 -2.30 0.00 0.00 0.00 175.76 173.20 2wcg n PRO 319 N 3.57 1.48 -0.14 0.00 -0.02 -1.26 -4.85 135.00 133.77 2wcg n PRO 319 Ca 0.19 0.53 0.09 0.00 -2.02 0.00 0.00 63.50 62.30 2wcg n PRO 319 Cb 0.42 -2.16 0.43 0.00 -0.02 0.00 0.00 33.50 32.17 2wcg n PRO 319 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wcg h ALA 320 N 4.44 1.86 -0.46 3.55 0.00 -1.97 -2.03 119.26 124.66 2wcg h ALA 320 Ca -0.45 -0.01 -0.10 0.00 0.00 0.00 0.00 54.91 54.34 2wcg h ALA 320 Cb 1.31 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 18.95 2wcg h ALA 320 CO 0.77 0.00 -0.11 -0.22 0.00 0.00 0.00 179.25 179.70 2wcg h LYS 321 N 0.58 0.89 0.00 0.00 3.64 -1.95 0.28 116.57 120.01 2wcg h LYS 321 Ca 0.30 -0.34 0.00 0.00 -1.27 0.00 0.00 60.65 59.35 2wcg h LYS 321 Cb 0.43 -0.05 0.00 0.00 -0.41 0.00 0.00 32.23 32.20 2wcg h LYS 321 CO -0.10 0.98 0.00 0.00 -2.27 0.00 0.00 179.45 178.06 2wcg h ALA 322 N 0.88 1.00 -0.25 5.00 0.00 -1.74 -2.18 119.26 121.97 2wcg h ALA 322 Ca 0.12 0.00 0.00 0.00 0.00 0.00 0.00 54.91 55.03 2wcg h ALA 322 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.44 2wcg h ALA 322 CO 0.05 0.00 0.00 0.25 0.00 0.00 0.00 179.25 179.55 2wcg n THR 323 N -2.93 0.00 -0.03 0.00 -2.24 -1.09 -4.47 114.28 103.53 2wcg n THR 323 Ca 0.02 0.10 -0.12 0.00 -2.27 0.00 0.00 64.05 61.77 2wcg n THR 323 Cb 0.35 -1.06 -0.07 0.00 -2.10 0.00 0.00 70.33 67.45 2wcg n THR 323 CO 0.00 0.00 0.00 -0.07 -0.57 0.00 0.00 175.07 174.43 2wcg h LEU 324 N 0.00 0.18 -0.07 3.22 3.38 -1.25 -1.81 115.31 118.95 2wcg h LEU 324 Ca 0.00 -0.33 0.02 0.00 0.09 0.00 0.00 57.88 57.66 2wcg h LEU 324 Cb 0.00 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.68 2wcg h LEU 324 CO 0.00 0.46 -0.05 1.23 0.09 0.00 0.00 178.44 180.17 2wcg h GLY 325 N -0.11 0.02 1.04 0.83 0.00 -0.50 -1.67 103.07 102.68 2wcg h GLY 325 Ca 0.03 0.06 -0.07 0.00 0.00 0.00 0.00 47.33 47.35 2wcg h GLY 325 CO 0.01 -0.06 0.12 -2.09 0.00 0.00 0.00 176.54 174.51 2wcg h GLU 326 N -0.05 1.03 -0.67 4.80 4.57 -1.47 -1.66 114.58 121.13 2wcg h GLU 326 Ca 0.05 -0.27 0.02 0.00 -1.18 0.00 0.00 59.36 57.97 2wcg h GLU 326 Cb 0.12 -0.12 -0.04 0.00 -0.16 0.00 0.00 28.75 28.55 2wcg h GLU 326 CO -0.11 0.96 0.43 1.15 -1.18 0.00 0.00 179.01 180.26 2wcg h THR 327 N 0.95 1.13 -0.64 0.32 2.02 -1.26 -2.02 112.91 113.41 2wcg h THR 327 Ca 0.19 -0.30 -0.04 0.00 0.77 0.00 0.00 66.41 67.03 2wcg h THR 327 Cb 0.41 0.19 -0.03 0.00 -1.74 0.00 0.00 68.15 66.98 2wcg h THR 327 CO 0.01 0.16 0.23 -0.74 0.37 0.00 0.00 175.52 175.55 2wcg h HIS 328 N 0.87 0.98 -0.56 3.16 -0.00 -1.06 0.73 115.15 119.27 2wcg h HIS 328 Ca 0.26 -0.07 -0.04 0.00 -0.00 0.00 0.00 60.37 60.52 2wcg h HIS 328 Cb -0.05 -0.29 -0.02 0.00 -0.00 0.00 0.00 27.41 27.05 2wcg h HIS 328 CO -0.04 0.77 0.21 -0.09 -0.00 0.00 0.00 177.93 178.78 2wcg h ARG 329 N 0.94 0.84 -0.04 5.26 2.43 -0.97 -1.61 114.38 121.24 2wcg h ARG 329 Ca 0.22 -0.16 -0.24 0.00 -0.81 0.00 0.00 59.98 58.98 2wcg h ARG 329 Cb 0.22 -0.13 0.01 0.00 -0.42 0.00 0.00 29.97 29.65 2wcg h ARG 329 CO -0.01 0.74 -0.93 -0.07 -1.51 0.00 0.00 179.97 178.19 2wcg h LEU 330 N 0.76 0.77 -5.89 3.80 3.38 -1.28 -3.39 115.31 113.46 2wcg h LEU 330 Ca 0.18 -0.58 -0.55 0.00 0.09 0.00 0.00 57.88 57.02 2wcg h LEU 330 Cb 0.23 -0.23 -0.41 0.00 0.09 0.00 0.00 40.66 40.34 2wcg h LEU 330 CO -0.01 1.38 -0.91 0.49 0.09 0.00 0.00 178.44 179.47 2wcg n PHE 331 N -3.84 1.68 0.30 1.13 3.01 0.24 -4.96 117.46 115.03 2wcg n PHE 331 Ca -0.08 -3.86 0.19 0.00 1.01 0.00 0.00 57.45 54.70 2wcg n PHE 331 Cb 0.83 -0.45 0.96 0.00 -0.01 0.00 0.00 39.48 40.81 2wcg n PHE 331 CO 0.00 0.00 0.00 -1.00 1.01 0.00 0.00 176.76 176.77 2wcg h PRO 332 N 3.55 0.00 -0.46 -1.08 0.13 -1.49 -2.25 132.00 130.40 2wcg h PRO 332 Ca 0.12 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.25 2wcg h PRO 332 Cb 0.77 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.90 2wcg h PRO 332 CO 0.64 0.00 0.00 0.09 -0.23 0.00 0.00 178.00 178.50 2wcg n ASN 333 N -2.91 3.57 -4.47 1.44 3.02 -1.26 -4.82 115.26 109.83 2wcg n ASN 333 Ca -0.02 -1.99 -0.39 0.00 -0.03 0.00 0.00 54.58 52.15 2wcg n ASN 333 Cb 0.13 -0.30 -0.11 0.00 -0.61 0.00 0.00 39.78 38.89 2wcg n ASN 333 CO 0.00 0.00 0.00 -0.89 -2.62 0.00 0.00 177.26 173.75 2wcg s THR 334 N -1.39 4.76 0.41 3.41 2.01 -0.85 -5.00 115.64 119.00 2wcg s THR 334 Ca 0.41 -0.29 -0.25 0.00 0.31 0.00 0.00 61.69 61.87 2wcg s THR 334 Cb 0.23 -3.39 -0.08 0.00 0.01 0.00 0.00 72.50 69.27 2wcg s THR 334 CO 0.32 0.11 1.19 0.00 -0.69 0.00 0.00 174.62 175.55 2wcg s MET 335 N 1.65 3.97 -0.13 4.92 0.23 -1.20 -4.82 119.30 123.91 2wcg s MET 335 Ca 0.05 1.88 -0.09 0.00 -1.03 0.00 0.00 55.69 56.51 2wcg s MET 335 Cb -0.17 -2.63 -0.04 0.00 -1.53 0.00 0.00 34.83 30.46 2wcg s MET 335 CO 0.07 -0.40 0.17 -0.51 -2.03 0.00 0.00 175.02 172.32 2wcg s LEU 336 N -2.60 4.34 -0.04 0.18 1.43 -1.26 -0.70 118.68 120.03 2wcg s LEU 336 Ca 0.58 0.46 -0.01 0.00 -1.03 0.00 0.00 54.13 54.13 2wcg s LEU 336 Cb -0.32 -2.14 0.03 0.00 0.03 0.00 0.00 46.19 43.79 2wcg s LEU 336 CO 0.40 0.33 0.08 0.12 0.23 0.00 0.00 176.35 177.50 2wcg s PHE 337 N -0.59 -0.06 -0.30 0.29 5.36 -0.18 -0.45 117.98 122.05 2wcg s PHE 337 Ca 0.14 0.27 -0.22 0.00 -0.96 0.00 0.00 56.93 56.16 2wcg s PHE 337 Cb -0.12 -0.14 -0.00 0.00 -0.34 0.00 0.00 43.02 42.41 2wcg s PHE 337 CO 0.03 -0.11 0.74 0.00 -1.46 0.00 0.00 175.22 174.42 2wcg s ALA 338 N 0.97 3.54 -1.12 11.12 0.00 -0.08 -0.25 121.76 135.95 2wcg s ALA 338 Ca -0.08 -0.47 0.12 0.00 0.00 0.00 0.00 51.96 51.53 2wcg s ALA 338 Cb -0.11 -3.23 0.00 0.00 0.00 0.00 0.00 23.12 19.78 2wcg s ALA 338 CO -0.04 -1.13 0.71 -1.13 0.00 0.00 0.00 175.76 174.17 2wcg n SER 339 N 6.08 1.38 -3.64 0.00 3.41 -0.22 -1.03 113.62 119.61 2wcg n SER 339 Ca 0.02 -1.19 -0.09 0.00 -0.26 0.00 0.00 58.87 57.35 2wcg n SER 339 Cb 0.48 0.44 -0.07 0.00 -0.26 0.00 0.00 64.21 64.81 2wcg n SER 339 CO 0.00 0.00 0.00 -0.70 -0.16 0.00 0.00 175.04 174.18 2wcg s GLU 340 N -1.50 0.66 -0.16 4.33 2.12 -1.21 -4.68 118.70 118.26 2wcg s GLU 340 Ca 0.10 0.94 -0.19 0.00 0.36 0.00 0.00 54.97 56.18 2wcg s GLU 340 Cb 0.10 0.24 0.05 0.00 0.26 0.00 0.00 34.13 34.78 2wcg s GLU 340 CO 0.29 -0.10 0.52 0.00 -0.54 0.00 0.00 175.26 175.43 2wcg s ALA 341 N 0.89 -1.30 0.03 6.30 0.00 -1.14 -2.50 121.76 124.03 2wcg s ALA 341 Ca -0.04 1.35 -0.20 0.00 0.00 0.00 0.00 51.96 53.08 2wcg s ALA 341 Cb -0.05 -0.68 0.04 0.00 0.00 0.00 0.00 23.12 22.43 2wcg s ALA 341 CO -0.09 -0.26 0.45 0.00 0.00 0.00 0.00 175.76 175.85 2wcg s VAL 343 N -2.26 3.72 0.00 0.00 -7.23 -1.26 -4.60 120.40 108.76 2wcg s VAL 343 Ca -0.06 -1.12 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 2wcg s VAL 343 Cb -0.01 -3.28 0.00 0.00 0.56 0.00 0.00 36.38 33.65 2wcg s VAL 343 CO -0.01 -0.13 0.00 0.61 -0.31 0.00 0.00 175.10 175.26 2wcg n GLY 344 N -1.59 0.63 0.15 2.32 0.00 -1.26 -1.48 105.19 103.97 2wcg n GLY 344 Ca 0.01 0.00 0.06 0.00 0.00 0.00 0.00 46.02 46.09 2wcg n GLY 344 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 2wcg h SER 345 N 0.00 0.00 -3.92 1.61 4.64 -1.82 -3.40 113.55 110.66 2wcg h SER 345 Ca 0.00 0.00 -0.52 0.00 -0.47 0.00 0.00 61.79 60.80 2wcg h SER 345 Cb 0.00 0.00 0.07 0.00 -0.31 0.00 0.00 62.40 62.16 2wcg h SER 345 CO 0.00 0.29 0.59 -0.54 -0.87 0.00 0.00 176.83 176.30 2wcg s LYS 346 N -3.09 4.11 0.51 4.77 -0.14 -1.26 -4.89 119.74 119.75 2wcg s LYS 346 Ca 0.03 2.09 0.29 0.00 -1.36 0.00 0.00 55.97 57.03 2wcg s LYS 346 Cb 0.07 -2.84 1.41 0.00 -1.68 0.00 0.00 37.83 34.80 2wcg s LYS 346 CO 0.74 -0.36 1.88 0.35 -0.76 0.00 0.00 175.35 177.20 2wcg h PHE 347 N 2.89 0.11 -0.08 3.18 3.57 -2.00 -1.71 116.94 122.90 2wcg h PHE 347 Ca -0.49 0.00 0.00 0.00 3.53 0.00 0.00 57.97 61.01 2wcg h PHE 347 Cb 1.24 -0.03 0.00 0.00 2.79 0.00 0.00 35.95 39.94 2wcg h PHE 347 CO 0.54 0.02 0.00 -2.67 -2.23 0.00 0.00 178.31 173.98 2wcg n TRP 348 N -4.32 0.08 -3.30 0.41 2.14 -1.26 -4.95 117.44 106.25 2wcg n TRP 348 Ca 0.19 -0.05 -0.30 0.00 2.07 0.00 0.00 57.50 59.41 2wcg n TRP 348 Cb 0.93 -0.00 -0.04 0.00 -0.81 0.00 0.00 31.31 31.39 2wcg n TRP 348 CO 0.00 0.00 0.00 -1.21 2.07 0.00 0.00 177.69 178.55 2wcg s GLU 349 N -1.60 3.74 0.28 -2.67 2.02 -0.64 -5.07 118.70 114.76 2wcg s GLU 349 Ca 0.25 0.21 -0.29 0.00 0.02 0.00 0.00 54.97 55.16 2wcg s GLU 349 Cb 0.17 -2.60 -0.09 0.00 0.10 0.00 0.00 34.13 31.70 2wcg s GLU 349 CO 0.25 0.22 1.04 -1.14 0.02 0.00 0.00 175.26 175.65 2wcg s GLN 350 N -3.24 4.67 0.07 1.61 0.74 -1.26 -4.86 119.66 117.39 2wcg s GLN 350 Ca 0.47 1.66 -0.28 0.00 0.05 0.00 0.00 55.36 57.25 2wcg s GLN 350 Cb -0.11 -3.14 -0.17 0.00 1.10 0.00 0.00 33.01 30.68 2wcg s GLN 350 CO 0.26 0.28 1.64 0.77 -0.55 0.00 0.00 175.29 177.68 2wcg h SER 351 N 3.78 -0.43 -3.19 6.67 0.02 -1.84 -3.42 113.55 115.14 2wcg h SER 351 Ca -0.46 -0.01 -0.62 0.00 -0.84 0.00 0.00 61.79 59.86 2wcg h SER 351 Cb 1.21 0.11 -0.35 0.00 0.14 0.00 0.00 62.40 63.51 2wcg h SER 351 CO 0.67 -0.28 -0.84 -0.69 -1.14 0.00 0.00 176.83 174.54 2wcg s VAL 352 N -5.98 1.70 -0.62 2.27 1.01 -1.26 -1.60 120.40 115.92 2wcg s VAL 352 Ca -0.16 -0.74 0.03 0.00 0.00 0.00 0.00 61.98 61.11 2wcg s VAL 352 Cb 0.04 -1.55 0.15 0.00 0.00 0.00 0.00 36.38 35.03 2wcg s VAL 352 CO 0.63 0.48 0.40 -0.13 0.00 0.00 0.00 175.10 176.48 2wcg s ARG 353 N 1.13 2.32 -0.14 2.72 0.52 -1.26 -5.07 118.95 119.17 2wcg s ARG 353 Ca -0.02 -2.89 -0.33 0.00 -0.52 0.00 0.00 55.73 51.97 2wcg s ARG 353 Cb -0.14 -3.46 -0.11 0.00 0.52 0.00 0.00 34.95 31.76 2wcg s ARG 353 CO -0.06 -1.19 1.98 1.28 0.02 0.00 0.00 175.30 177.34 2wcg n LEU 354 N 2.75 3.29 0.00 2.53 4.77 -1.26 -1.52 117.00 127.55 2wcg n LEU 354 Ca 0.11 0.78 0.00 0.00 -0.03 0.00 0.00 56.01 56.87 2wcg n LEU 354 Cb 0.34 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.04 2wcg n LEU 354 CO 0.32 -0.22 0.00 0.61 -1.33 0.00 0.00 177.39 176.77 2wcg n GLY 355 N 4.92 0.85 3.63 -0.72 0.00 -1.26 -4.32 105.19 108.29 2wcg n GLY 355 Ca 0.26 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.85 2wcg n GLY 355 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 2wcg s SER 356 N -2.18 6.53 0.11 1.61 0.15 -0.57 -1.16 113.70 118.20 2wcg s SER 356 Ca 0.00 1.48 -0.12 0.00 0.70 0.00 0.00 55.95 58.01 2wcg s SER 356 Cb 0.00 -2.54 -0.12 0.00 -1.71 0.00 0.00 66.02 61.66 2wcg s SER 356 CO 0.00 -1.15 1.36 -0.25 1.20 0.00 0.00 173.24 174.40 2wcg h TRP 357 N 9.99 1.08 -0.90 3.44 2.91 -1.91 -3.10 115.95 127.47 2wcg h TRP 357 Ca -0.30 -0.42 0.09 0.00 1.13 0.00 0.00 58.89 59.39 2wcg h TRP 357 Cb 1.13 -0.19 -0.06 0.00 -0.51 0.00 0.00 29.16 29.52 2wcg h TRP 357 CO 0.89 1.25 0.58 0.22 -1.03 0.00 0.00 178.44 180.35 2wcg h ASP 358 N 0.61 0.82 0.11 2.65 1.82 -1.98 -0.93 116.42 119.52 2wcg h ASP 358 Ca -0.01 0.02 -0.17 0.00 -0.39 0.00 0.00 57.03 56.48 2wcg h ASP 358 Cb 1.24 -0.15 -0.01 0.00 0.68 0.00 0.00 39.33 41.09 2wcg h ASP 358 CO 0.13 0.49 -0.61 0.03 -1.61 0.00 0.00 179.24 177.67 2wcg h ARG 359 N 0.91 0.50 -0.07 0.28 3.08 -1.96 -1.64 114.38 115.47 2wcg h ARG 359 Ca 0.41 -0.34 0.04 0.00 0.07 0.00 0.00 59.98 60.16 2wcg h ARG 359 Cb 0.38 0.05 -0.04 0.00 0.08 0.00 0.00 29.97 30.44 2wcg h ARG 359 CO -0.18 0.96 -0.19 0.78 -1.07 0.00 0.00 179.97 180.27 2wcg h GLY 360 N 1.13 -0.20 1.68 0.04 0.00 -1.25 -2.80 103.07 101.66 2wcg h GLY 360 Ca -0.01 0.22 -0.00 0.00 0.00 0.00 0.00 47.33 47.55 2wcg h GLY 360 CO 0.11 -0.17 0.18 -0.33 0.00 0.00 0.00 176.54 176.33 2wcg h MET 361 N -0.27 0.43 -0.76 4.80 2.86 -0.99 -0.86 114.93 120.14 2wcg h MET 361 Ca 0.08 -0.03 -0.02 0.00 -2.06 0.00 0.00 59.70 57.66 2wcg h MET 361 Cb 0.38 -0.09 -0.04 0.00 0.06 0.00 0.00 31.60 31.91 2wcg h MET 361 CO -0.23 0.31 0.38 1.96 1.06 0.00 0.00 176.91 180.39 2wcg h GLN 362 N 0.44 1.08 0.77 1.72 4.20 -1.15 -0.23 115.11 121.95 2wcg h GLN 362 Ca 0.12 -0.15 -0.04 0.00 0.06 0.00 0.00 58.65 58.64 2wcg h GLN 362 Cb -0.00 -0.20 0.01 0.00 0.30 0.00 0.00 27.48 27.59 2wcg h GLN 362 CO -0.02 0.83 -0.38 1.88 -0.67 0.00 0.00 178.83 180.47 2wcg h TYR 363 N 1.06 -0.98 -0.39 2.96 -1.99 -0.91 -2.13 116.97 114.59 2wcg h TYR 363 Ca 0.26 -0.02 -0.05 0.00 2.00 0.00 0.00 58.73 60.92 2wcg h TYR 363 Cb 0.09 0.32 -0.02 0.00 2.00 0.00 0.00 36.73 39.13 2wcg h TYR 363 CO 0.01 -0.60 0.02 0.66 -0.00 0.00 0.00 178.16 178.24 2wcg h SER 364 N -1.04 0.56 -0.69 3.88 4.64 -1.41 0.14 113.55 119.63 2wcg h SER 364 Ca -0.11 -0.11 -0.05 0.00 -0.47 0.00 0.00 61.79 61.06 2wcg h SER 364 Cb 0.80 -0.15 -0.03 0.00 -0.31 0.00 0.00 62.40 62.72 2wcg h SER 364 CO 0.17 0.62 0.24 -0.74 -0.87 0.00 0.00 176.83 176.25 2wcg h HIS 365 N 0.58 1.09 -0.06 4.77 -0.00 -1.06 -0.05 115.15 120.42 2wcg h HIS 365 Ca 0.12 -0.10 -0.00 0.00 -0.00 0.00 0.00 60.37 60.39 2wcg h HIS 365 Cb 0.34 -0.32 -0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2wcg h HIS 365 CO 0.01 0.86 0.02 1.03 -0.00 0.00 0.00 177.93 179.86 2wcg h SER 366 N 1.01 0.09 -0.16 3.26 0.87 -0.65 -1.82 113.55 116.14 2wcg h SER 366 Ca 0.23 -0.19 0.00 0.00 -1.23 0.00 0.00 61.79 60.60 2wcg h SER 366 Cb 0.27 -0.02 -0.01 0.00 -0.44 0.00 0.00 62.40 62.19 2wcg h SER 366 CO -0.01 0.25 0.10 0.40 -0.53 0.00 0.00 176.83 177.04 2wcg h ILE 367 N -0.08 1.06 -0.52 2.23 2.04 -0.50 -0.77 117.51 120.97 2wcg h ILE 367 Ca 0.02 -0.14 0.06 0.00 1.00 0.00 0.00 64.86 65.81 2wcg h ILE 367 Cb 0.20 0.86 -0.06 0.00 -0.74 0.00 0.00 36.82 37.08 2wcg h ILE 367 CO -0.00 0.06 0.21 0.40 0.00 0.00 0.00 178.15 178.81 2wcg h ILE 368 N 0.20 0.86 -0.50 -0.67 2.04 -1.03 -0.25 117.51 118.15 2wcg h ILE 368 Ca 0.06 -0.14 -0.06 0.00 1.00 0.00 0.00 64.86 65.72 2wcg h ILE 368 Cb 0.00 0.42 -0.02 0.00 -0.74 0.00 0.00 36.82 36.48 2wcg h ILE 368 CO -0.01 0.07 0.10 0.74 0.00 0.00 0.00 178.15 179.05 2wcg h THR 369 N 0.41 1.25 -0.04 -0.27 2.02 -1.15 -1.80 112.91 113.32 2wcg h THR 369 Ca 0.24 -0.90 0.03 0.00 0.77 0.00 0.00 66.41 66.56 2wcg h THR 369 Cb 0.24 0.86 -0.04 0.00 -1.74 0.00 0.00 68.15 67.47 2wcg h THR 369 CO -0.23 0.32 -0.22 0.78 0.37 0.00 0.00 175.52 176.55 2wcg h ASN 370 N 0.70 -0.65 -0.99 4.18 2.35 -0.87 -2.91 115.58 117.40 2wcg h ASN 370 Ca 0.15 0.10 0.16 0.00 -0.55 0.00 0.00 56.30 56.16 2wcg h ASN 370 Cb 0.37 0.27 -0.09 0.00 0.05 0.00 0.00 38.32 38.92 2wcg h ASN 370 CO 0.01 -0.28 0.62 -0.07 -1.65 0.00 0.00 177.43 176.05 2wcg h LEU 371 N -0.32 0.79 -0.16 1.61 3.38 -0.80 -1.33 115.31 118.48 2wcg h LEU 371 Ca 0.07 0.07 0.00 0.00 0.09 0.00 0.00 57.88 58.11 2wcg h LEU 371 Cb 0.42 -0.08 0.00 0.00 0.09 0.00 0.00 40.66 41.09 2wcg h LEU 371 CO -0.23 0.35 0.00 0.18 0.09 0.00 0.00 178.44 178.84 2wcg n LEU 372 N -4.67 0.57 -2.01 1.67 4.77 -0.70 -3.13 117.00 113.51 2wcg n LEU 372 Ca 0.21 0.58 -0.24 0.00 -0.03 0.00 0.00 56.01 56.52 2wcg n LEU 372 Cb 0.49 -0.42 0.04 0.00 -2.33 0.00 0.00 43.42 41.20 2wcg n LEU 372 CO 0.25 -0.24 0.40 -1.22 -1.33 0.00 0.00 177.39 175.25 2wcg n TYR 373 N -2.06 2.71 -0.99 -1.77 4.02 -0.55 -4.98 117.16 113.53 2wcg n TYR 373 Ca 0.05 -2.31 0.00 0.00 -0.01 0.00 0.00 57.90 55.63 2wcg n TYR 373 Cb 0.35 -0.52 0.00 0.00 -0.02 0.00 0.00 39.34 39.15 2wcg n TYR 373 CO 0.00 0.00 0.00 0.72 -1.01 0.00 0.00 176.86 176.57 2wcg n HIS 374 N -0.77 0.00 -2.41 -0.72 8.25 -1.14 -4.45 115.22 113.98 2wcg n HIS 374 Ca 0.46 0.00 -0.41 0.00 -0.26 0.00 0.00 57.72 57.51 2wcg n HIS 374 Cb 0.92 -0.05 -0.04 0.00 1.12 0.00 0.00 29.99 31.94 2wcg n HIS 374 CO 0.00 0.00 0.00 0.08 0.64 0.00 0.00 176.34 177.06 2wcg s VAL 375 N -3.17 3.65 -1.60 1.59 1.01 -0.90 -4.45 120.40 116.52 2wcg s VAL 375 Ca 0.00 1.39 0.23 0.00 0.00 0.00 0.00 61.98 63.61 2wcg s VAL 375 Cb 0.00 -3.89 -0.01 0.00 0.00 0.00 0.00 36.38 32.48 2wcg s VAL 375 CO 0.00 0.23 1.17 1.33 0.00 0.00 0.00 175.10 177.82 2wcg n VAL 376 N 2.49 0.00 -3.66 2.92 0.24 0.40 -4.44 118.33 116.28 2wcg n VAL 376 Ca 0.04 -0.14 -0.05 0.00 -2.04 0.00 0.00 64.34 62.15 2wcg n VAL 376 Cb 0.45 0.91 -0.02 0.00 -1.47 0.00 0.00 33.84 33.72 2wcg n VAL 376 CO 0.00 0.00 0.00 -0.83 -2.14 0.00 0.00 176.83 173.86 2wcg s GLY 377 N -2.67 -0.33 -0.09 7.63 0.00 -1.26 0.12 107.32 110.72 2wcg s GLY 377 Ca 0.16 0.45 -0.04 0.00 0.00 0.00 0.00 44.72 45.28 2wcg s GLY 377 CO 0.65 0.12 0.20 0.86 0.00 0.00 0.00 173.10 174.94 2wcg s TRP 378 N -3.24 -0.25 -0.15 1.90 -0.00 -0.85 -0.90 118.94 115.45 2wcg s TRP 378 Ca 0.09 0.63 0.01 0.00 -0.00 0.00 0.00 56.10 56.83 2wcg s TRP 378 Cb -0.01 -0.00 0.02 0.00 -0.00 0.00 0.00 33.47 33.48 2wcg s TRP 378 CO -0.02 -0.19 -0.15 0.99 -0.00 0.00 0.00 176.95 177.57 2wcg s THR 379 N 1.11 1.64 0.97 5.86 2.01 -0.20 -2.74 115.64 124.28 2wcg s THR 379 Ca -0.08 -0.68 -0.12 0.00 0.31 0.00 0.00 61.69 61.12 2wcg s THR 379 Cb -0.10 -1.52 0.17 0.00 0.01 0.00 0.00 72.50 71.06 2wcg s THR 379 CO -0.07 0.47 1.09 -0.62 -0.69 0.00 0.00 174.62 174.80 2wcg s ASP 380 N 1.39 2.77 0.00 3.53 2.15 0.35 -2.90 116.67 123.96 2wcg s ASP 380 Ca 0.03 1.57 0.00 0.00 0.43 0.00 0.00 52.55 54.58 2wcg s ASP 380 Cb -0.13 -2.23 0.00 0.00 -0.30 0.00 0.00 42.92 40.26 2wcg s ASP 380 CO -0.10 -3.09 0.00 1.87 -0.17 0.00 0.00 175.17 173.68 2wcg n TRP 381 N -4.19 0.00 -1.70 -5.34 -0.00 -0.32 -3.02 117.44 102.88 2wcg n TRP 381 Ca 0.07 0.00 -0.62 0.00 -0.00 0.00 0.00 57.50 56.94 2wcg n TRP 381 Cb 0.55 0.00 -0.09 0.00 -0.00 0.00 0.00 31.31 31.77 2wcg n TRP 381 CO 0.00 0.00 0.00 0.09 -0.00 0.00 0.00 177.69 177.78 2wcg n ASN 382 N 0.00 1.52 -0.24 5.87 3.02 -1.26 -0.51 115.26 123.67 2wcg n ASN 382 Ca 0.00 1.14 0.11 0.00 -0.03 0.00 0.00 54.58 55.80 2wcg n ASN 382 Cb 0.00 -0.99 0.38 0.00 -0.61 0.00 0.00 39.78 38.56 2wcg n ASN 382 CO 0.00 0.00 0.00 -0.07 -2.62 0.00 0.00 177.26 174.57 2wcg h LEU 383 N 5.54 0.64 -7.25 3.41 3.38 -1.71 -3.41 115.31 115.91 2wcg h LEU 383 Ca -0.46 0.03 -0.09 0.00 0.09 0.00 0.00 57.88 57.45 2wcg h LEU 383 Cb 1.36 -0.10 -0.21 0.00 0.09 0.00 0.00 40.66 41.80 2wcg h LEU 383 CO 0.93 0.35 -0.07 0.00 0.09 0.00 0.00 178.44 179.74 2wcg s ALA 384 N -5.66 -1.26 0.28 1.53 0.00 -1.26 -3.89 121.76 111.50 2wcg s ALA 384 Ca -0.10 1.04 0.02 0.00 0.00 0.00 0.00 51.96 52.92 2wcg s ALA 384 Cb 0.21 -0.28 -0.04 0.00 0.00 0.00 0.00 23.12 23.00 2wcg s ALA 384 CO 0.78 -0.29 0.13 -0.51 0.00 0.00 0.00 175.76 175.88 2wcg s LEU 385 N -0.71 1.62 0.78 0.00 1.43 -0.95 -3.84 118.68 117.02 2wcg s LEU 385 Ca -0.08 -1.47 -0.05 0.00 -1.03 0.00 0.00 54.13 51.49 2wcg s LEU 385 Cb -0.03 0.14 0.14 0.00 0.03 0.00 0.00 46.19 46.47 2wcg s LEU 385 CO 0.05 -0.82 1.08 0.54 0.23 0.00 0.00 176.35 177.43 2wcg s ASN 386 N -3.34 4.04 0.28 2.29 2.20 -0.86 -0.53 114.94 119.03 2wcg s ASN 386 Ca 0.37 -0.13 0.21 0.00 -0.94 0.00 0.00 52.86 52.37 2wcg s ASN 386 Cb 0.06 -0.18 1.05 0.00 -2.00 0.00 0.00 41.25 40.18 2wcg s ASN 386 CO 0.15 -2.08 1.65 -2.65 -2.94 0.00 0.00 177.10 171.23 2wcg n PRO 387 N -3.09 0.15 0.00 3.55 -0.02 -1.26 -0.98 135.00 133.34 2wcg n PRO 387 Ca 0.14 0.55 0.11 0.00 -2.02 0.00 0.00 63.50 62.29 2wcg n PRO 387 Cb 0.60 -1.91 0.11 0.00 -0.02 0.00 0.00 33.50 32.29 2wcg n PRO 387 CO 0.00 0.00 0.00 0.39 1.98 0.00 0.00 175.50 177.87 2wcg n GLU 388 N -2.21 0.42 -0.52 -0.52 4.71 -1.26 -4.74 120.64 116.51 2wcg n GLU 388 Ca -0.00 -0.31 0.00 0.00 -0.01 0.00 0.00 57.16 56.84 2wcg n GLU 388 Cb 0.10 -1.49 0.00 0.00 -1.01 0.00 0.00 31.44 29.04 2wcg n GLU 388 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 2wcg n GLY 389 N 1.45 1.17 0.00 0.62 0.00 -0.16 -4.67 105.19 103.61 2wcg n GLY 389 Ca 0.07 -0.33 0.00 0.00 0.00 0.00 0.00 46.02 45.76 2wcg n GLY 389 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2wcg n GLY 390 N -1.58 5.73 3.79 -0.02 0.00 -1.26 -2.71 105.19 109.15 2wcg n GLY 390 Ca 0.00 -1.54 -0.30 0.00 0.00 0.00 0.00 46.02 44.18 2wcg n GLY 390 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 2wcg s PRO 391 N 1.03 1.93 -0.30 1.61 0.04 -1.26 -2.04 135.00 136.01 2wcg s PRO 391 Ca 0.00 0.64 -0.11 0.00 0.04 0.00 0.00 61.00 61.58 2wcg s PRO 391 Cb 0.00 -1.90 0.16 0.00 0.04 0.00 0.00 34.50 32.80 2wcg s PRO 391 CO 0.00 -1.73 0.81 1.21 0.04 0.00 0.00 177.00 177.33 2wcg s ASN 392 N -3.85 -0.90 0.59 6.66 3.84 -1.26 -4.48 114.94 115.54 2wcg s ASN 392 Ca 0.61 1.02 0.32 0.00 0.21 0.00 0.00 52.86 55.03 2wcg s ASN 392 Cb -0.15 1.94 1.86 0.00 -0.55 0.00 0.00 41.25 44.35 2wcg s ASN 392 CO 0.54 -0.17 2.24 4.11 -2.79 0.00 0.00 177.10 181.03 2wcg h TRP 393 N 7.81 0.00 -0.43 0.43 5.08 -0.91 -0.17 115.95 127.76 2wcg h TRP 393 Ca -0.17 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.80 2wcg h TRP 393 Cb 1.12 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.28 2wcg h TRP 393 CO 0.15 0.03 0.00 1.33 -1.28 0.00 0.00 178.44 178.67 2wcg n VAL 394 N -3.63 0.63 -2.34 0.12 0.24 -1.26 -4.96 118.33 107.12 2wcg n VAL 394 Ca -0.03 -0.81 -0.15 0.00 -2.04 0.00 0.00 64.34 61.31 2wcg n VAL 394 Cb 0.12 0.85 -0.00 0.00 -1.47 0.00 0.00 33.84 33.34 2wcg n VAL 394 CO 0.00 0.00 0.00 0.54 -2.14 0.00 0.00 176.83 175.23 2wcg n ARG 395 N 1.36 -1.44 -1.96 7.34 1.74 -0.08 -4.93 116.66 118.69 2wcg n ARG 395 Ca 0.19 0.73 -0.41 0.00 -0.77 0.00 0.00 57.85 57.59 2wcg n ARG 395 Cb 0.57 -5.07 -0.01 0.00 -1.02 0.00 0.00 32.46 26.93 2wcg n ARG 395 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 2wcg n ASN 396 N -0.94 6.96 -4.76 0.55 4.05 -1.26 -4.98 115.26 114.87 2wcg n ASN 396 Ca -0.17 -3.01 -0.41 0.00 0.45 0.00 0.00 54.58 51.44 2wcg n ASN 396 Cb 0.63 -1.45 -0.02 0.00 1.23 0.00 0.00 39.78 40.17 2wcg n ASN 396 CO 0.00 0.00 0.00 -0.36 -3.05 0.00 0.00 177.26 173.85 2wcg s PHE 397 N 0.20 3.13 0.25 1.20 2.99 -1.26 -4.99 117.98 119.49 2wcg s PHE 397 Ca 0.52 1.39 0.05 0.00 0.00 0.00 0.00 56.93 58.89 2wcg s PHE 397 Cb 0.15 -3.64 -0.02 0.00 0.00 0.00 0.00 43.02 39.51 2wcg s PHE 397 CO -0.06 -1.80 0.20 1.33 -0.00 0.00 0.00 175.22 174.89 2wcg n VAL 398 N 1.20 0.00 -3.02 -0.44 0.24 -1.10 -4.63 118.33 110.59 2wcg n VAL 398 Ca 0.01 -1.79 -0.20 0.00 -2.04 0.00 0.00 64.34 60.33 2wcg n VAL 398 Cb 0.42 0.87 0.01 0.00 -1.47 0.00 0.00 33.84 33.67 2wcg n VAL 398 CO 0.00 0.00 0.00 -0.62 -2.14 0.00 0.00 176.83 174.07 2wcg s ASP 399 N -2.72 5.66 -0.03 -1.34 -1.08 -0.55 -4.25 116.67 112.36 2wcg s ASP 399 Ca 0.28 -0.14 -0.15 0.00 -0.52 0.00 0.00 52.55 52.02 2wcg s ASP 399 Cb 0.01 -1.00 0.03 0.00 -1.46 0.00 0.00 42.92 40.50 2wcg s ASP 399 CO 0.20 -0.78 0.33 -0.55 0.52 0.00 0.00 175.17 174.90 2wcg s SER 400 N -4.31 -0.24 0.60 -0.34 0.15 -1.26 -4.55 113.70 103.76 2wcg s SER 400 Ca 0.52 0.20 0.36 0.00 0.70 0.00 0.00 55.95 57.73 2wcg s SER 400 Cb -0.10 0.38 1.88 0.00 -1.71 0.00 0.00 66.02 66.47 2wcg s SER 400 CO 0.35 -0.41 2.20 -0.65 1.20 0.00 0.00 173.24 175.93 2wcg h PRO 401 N 4.06 0.00 -4.70 5.44 0.11 -1.81 -3.40 132.00 131.70 2wcg h PRO 401 Ca -0.29 0.00 -0.57 0.00 0.11 0.00 0.00 66.00 65.25 2wcg h PRO 401 Cb 1.18 0.00 -0.34 0.00 0.11 0.00 0.00 31.00 31.94 2wcg h PRO 401 CO 0.38 0.03 -0.83 0.42 -0.21 0.00 0.00 178.00 177.80 2wcg s ILE 402 N -4.12 1.40 -0.17 4.15 1.01 -1.25 -1.10 121.20 121.12 2wcg s ILE 402 Ca -0.03 -0.60 -0.02 0.00 0.00 0.00 0.00 60.65 60.00 2wcg s ILE 402 Cb 0.12 -1.27 -0.01 0.00 0.01 0.00 0.00 42.46 41.31 2wcg s ILE 402 CO 0.50 0.42 -0.09 -0.63 0.00 0.00 0.00 174.94 175.14 2wcg s ILE 403 N 0.85 3.27 -0.18 2.92 -1.09 -0.45 -2.23 121.20 124.29 2wcg s ILE 403 Ca -0.10 -0.56 -0.17 0.00 -2.23 0.00 0.00 60.65 57.58 2wcg s ILE 403 Cb -0.15 -2.42 -0.04 0.00 -1.58 0.00 0.00 42.46 38.27 2wcg s ILE 403 CO 0.01 0.49 0.45 -0.69 -1.23 0.00 0.00 174.94 173.97 2wcg s VAL 404 N 0.75 5.17 -0.60 2.92 1.01 0.31 -0.44 120.40 129.52 2wcg s VAL 404 Ca -0.04 0.84 -0.08 0.00 0.00 0.00 0.00 61.98 62.70 2wcg s VAL 404 Cb -0.15 -3.78 0.16 0.00 0.00 0.00 0.00 36.38 32.60 2wcg s VAL 404 CO 0.02 0.25 0.47 -0.62 0.00 0.00 0.00 175.10 175.22 2wcg s ASP 405 N 0.97 5.80 0.18 3.32 -1.08 0.14 -4.03 116.67 121.97 2wcg s ASP 405 Ca 0.22 -2.40 -0.07 0.00 -0.52 0.00 0.00 52.55 49.78 2wcg s ASP 405 Cb -0.15 -2.01 0.07 0.00 -1.46 0.00 0.00 42.92 39.38 2wcg s ASP 405 CO 0.09 -0.56 1.54 -0.29 0.52 0.00 0.00 175.17 176.47 2wcg h ILE 406 N 5.54 1.28 0.00 4.11 2.10 -1.91 -1.41 117.51 127.23 2wcg h ILE 406 Ca -0.07 -1.50 0.00 0.00 1.08 0.00 0.00 64.86 64.36 2wcg h ILE 406 Cb 1.03 1.36 0.00 0.00 -1.09 0.00 0.00 36.82 38.12 2wcg h ILE 406 CO 0.79 0.50 0.00 0.35 -1.08 0.00 0.00 178.15 178.70 2wcg n THR 407 N -4.07 0.77 -0.07 2.19 -2.24 -1.26 -2.04 114.28 107.56 2wcg n THR 407 Ca -0.01 0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.96 2wcg n THR 407 Cb 0.51 -0.96 0.00 0.00 -2.10 0.00 0.00 70.33 67.78 2wcg n THR 407 CO 0.00 0.00 0.00 0.29 -0.57 0.00 0.00 175.07 174.79 2wcg n LYS 408 N -1.36 1.80 -4.24 -0.78 5.02 -0.59 -4.99 118.16 113.03 2wcg n LYS 408 Ca 0.05 -1.17 -0.31 0.00 -2.02 0.00 0.00 58.31 54.86 2wcg n LYS 408 Cb 0.13 -0.97 -0.08 0.00 -0.02 0.00 0.00 35.03 34.09 2wcg n LYS 408 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 2wcg n ASP 409 N -0.34 0.36 -4.23 4.39 2.03 -0.85 -4.96 116.55 112.95 2wcg n ASP 409 Ca 0.00 -1.24 -0.17 0.00 0.52 0.00 0.00 54.79 53.90 2wcg n ASP 409 Cb 0.20 -1.83 -0.11 0.00 -0.72 0.00 0.00 41.12 38.66 2wcg n ASP 409 CO 0.00 0.00 0.00 -0.89 -1.92 0.00 0.00 177.20 174.39 2wcg s THR 410 N -4.26 1.25 0.04 5.18 2.01 -1.00 -4.13 115.64 114.73 2wcg s THR 410 Ca 0.04 -1.70 0.01 0.00 0.31 0.00 0.00 61.69 60.35 2wcg s THR 410 Cb -0.02 -1.49 -0.03 0.00 0.01 0.00 0.00 72.50 70.97 2wcg s THR 410 CO 0.98 -0.44 -0.05 0.72 -0.69 0.00 0.00 174.62 175.13 2wcg s PHE 411 N -2.19 0.52 -0.15 4.92 -0.12 -0.49 0.25 117.98 120.72 2wcg s PHE 411 Ca 0.08 -0.61 -0.00 0.00 -0.05 0.00 0.00 56.93 56.35 2wcg s PHE 411 Cb -0.05 -0.33 -0.01 0.00 -0.63 0.00 0.00 43.02 42.01 2wcg s PHE 411 CO 0.02 -0.16 -0.13 0.71 -0.05 0.00 0.00 175.22 175.61 2wcg s TYR 412 N -1.89 2.81 -0.25 3.49 1.51 0.41 -1.42 117.35 122.02 2wcg s TYR 412 Ca -0.08 -0.86 -0.18 0.00 -1.01 0.00 0.00 57.07 54.93 2wcg s TYR 412 Cb -0.07 -1.89 -0.03 0.00 -0.11 0.00 0.00 41.96 39.86 2wcg s TYR 412 CO -0.02 -0.37 0.51 0.15 -1.11 0.00 0.00 175.55 174.71 2wcg s LYS 413 N 0.68 4.08 0.49 -0.62 1.02 -0.51 -1.34 119.74 123.54 2wcg s LYS 413 Ca -0.07 0.32 -0.05 0.00 0.02 0.00 0.00 55.97 56.20 2wcg s LYS 413 Cb -0.15 -3.64 -0.03 0.00 -0.52 0.00 0.00 37.83 33.48 2wcg s LYS 413 CO 0.02 -0.33 0.79 -0.65 -0.92 0.00 0.00 175.35 174.26 2wcg s GLN 414 N 2.22 3.44 0.38 1.68 -0.21 -0.26 -1.52 119.66 125.40 2wcg s GLN 414 Ca 0.21 0.13 0.18 0.00 0.02 0.00 0.00 55.36 55.90 2wcg s GLN 414 Cb -0.16 -2.38 1.13 0.00 1.00 0.00 0.00 33.01 32.61 2wcg s GLN 414 CO 0.09 -0.25 1.70 -1.35 -2.12 0.00 0.00 175.29 173.35 2wcg h PRO 415 N 0.20 0.32 -0.96 2.91 0.11 -1.80 0.15 132.00 132.94 2wcg h PRO 415 Ca -0.47 -0.02 0.19 0.00 0.11 0.00 0.00 66.00 65.81 2wcg h PRO 415 Cb 1.21 -0.07 -0.09 0.00 0.11 0.00 0.00 31.00 32.16 2wcg h PRO 415 CO 0.61 0.21 0.61 0.52 -0.21 0.00 0.00 178.00 179.75 2wcg h MET 416 N 0.33 0.61 -0.08 1.05 2.86 -1.86 -0.93 114.93 116.91 2wcg h MET 416 Ca 0.70 -0.04 0.00 0.00 -2.06 0.00 0.00 59.70 58.30 2wcg h MET 416 Cb 1.75 -0.14 -0.00 0.00 0.06 0.00 0.00 31.60 33.26 2wcg h MET 416 CO -0.45 0.40 0.05 0.35 1.06 0.00 0.00 176.91 178.32 2wcg h PHE 417 N 0.63 0.10 -0.12 -0.22 3.57 -0.90 -1.78 116.94 118.22 2wcg h PHE 417 Ca 0.52 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.88 2wcg h PHE 417 Cb 0.98 -0.03 -0.01 0.00 2.79 0.00 0.00 35.95 39.68 2wcg h PHE 417 CO -0.00 0.07 -0.55 1.88 -2.23 0.00 0.00 178.31 177.47 2wcg h TYR 418 N 0.10 0.43 -0.34 0.41 -1.99 -1.28 -0.88 116.97 113.41 2wcg h TYR 418 Ca 0.03 -0.15 -0.10 0.00 2.00 0.00 0.00 58.73 60.51 2wcg h TYR 418 Cb -0.01 -0.08 -0.01 0.00 2.00 0.00 0.00 36.73 38.63 2wcg h TYR 418 CO -0.07 0.81 -0.18 0.45 -0.00 0.00 0.00 178.16 179.17 2wcg h HIS 419 N 0.26 0.85 -0.24 4.88 3.86 -1.07 -1.56 115.15 122.13 2wcg h HIS 419 Ca 0.00 -0.21 0.04 0.00 -1.16 0.00 0.00 60.37 59.04 2wcg h HIS 419 Cb 1.05 -0.19 -0.04 0.00 1.06 0.00 0.00 27.41 29.28 2wcg h HIS 419 CO 0.03 0.94 -0.01 -0.07 0.86 0.00 0.00 177.93 179.68 2wcg h LEU 420 N 0.51 -0.11 -1.75 2.43 3.38 -1.30 -2.98 115.31 115.50 2wcg h LEU 420 Ca 0.08 0.06 0.13 0.00 0.09 0.00 0.00 57.88 58.23 2wcg h LEU 420 Cb 0.72 0.10 -0.04 0.00 0.09 0.00 0.00 40.66 41.54 2wcg h LEU 420 CO 0.05 -0.02 0.43 1.23 0.09 0.00 0.00 178.44 180.22 2wcg h GLY 421 N 0.07 0.41 2.00 0.83 0.00 -0.56 -1.10 103.07 104.73 2wcg h GLY 421 Ca 0.11 -0.11 0.00 0.00 0.00 0.00 0.00 47.33 47.33 2wcg h GLY 421 CO -0.20 0.05 0.00 0.45 0.00 0.00 0.00 176.54 176.84 2wcg h HIS 422 N 0.26 0.00 0.00 5.60 3.86 -1.14 -2.01 115.15 121.73 2wcg h HIS 422 Ca 0.30 0.00 -0.09 0.00 -1.16 0.00 0.00 60.37 59.42 2wcg h HIS 422 Cb 0.81 0.00 -0.01 0.00 1.06 0.00 0.00 27.41 29.26 2wcg h HIS 422 CO -0.00 0.00 -1.16 1.19 0.86 0.00 0.00 177.93 178.82 2wcg n PHE 423 N -2.98 0.00 -0.30 2.45 3.01 -0.52 -4.55 117.46 114.57 2wcg n PHE 423 Ca -0.02 0.00 0.09 0.00 1.01 0.00 0.00 57.45 58.52 2wcg n PHE 423 Cb 0.09 -0.50 0.31 0.00 -0.01 0.00 0.00 39.48 39.37 2wcg n PHE 423 CO 0.00 0.00 0.00 0.66 1.01 0.00 0.00 176.76 178.43 2wcg h SER 424 N -0.81 0.78 0.77 4.37 4.64 -1.28 -0.36 113.55 121.67 2wcg h SER 424 Ca -0.14 0.03 -0.13 0.00 -0.47 0.00 0.00 61.79 61.09 2wcg h SER 424 Cb 0.97 -0.13 -0.02 0.00 -0.31 0.00 0.00 62.40 62.92 2wcg h SER 424 CO -0.08 0.43 -0.61 0.50 -0.87 0.00 0.00 176.83 176.20 2wcg h LYS 425 N 0.85 0.00 -0.01 4.77 1.63 -1.14 -3.32 116.57 119.34 2wcg h LYS 425 Ca 0.44 0.00 0.00 0.00 -0.85 0.00 0.00 60.65 60.24 2wcg h LYS 425 Cb 0.52 0.00 0.00 0.00 -0.60 0.00 0.00 32.23 32.15 2wcg h LYS 425 CO -0.21 0.61 -0.03 1.19 -3.45 0.00 0.00 179.45 177.57 2wcg n PHE 426 N -3.64 0.00 -3.46 1.91 3.01 -0.55 -4.75 117.46 109.98 2wcg n PHE 426 Ca -0.01 0.00 -0.26 0.00 1.01 0.00 0.00 57.45 58.19 2wcg n PHE 426 Cb 0.64 0.00 -0.09 0.00 -0.01 0.00 0.00 39.48 40.02 2wcg n PHE 426 CO 0.00 0.00 0.00 -0.89 1.01 0.00 0.00 176.76 176.88 2wcg n ILE 427 N 0.29 0.24 -1.00 4.37 5.41 -0.25 -4.96 119.36 123.46 2wcg n ILE 427 Ca 0.04 -4.25 -0.31 0.00 1.00 0.00 0.00 62.75 59.24 2wcg n ILE 427 Cb 0.18 -1.94 0.13 0.00 -0.71 0.00 0.00 39.64 37.31 2wcg n ILE 427 CO 0.00 0.00 0.00 -2.16 0.00 0.00 0.00 176.55 174.39 2wcg s PRO 428 N -1.09 1.50 0.20 0.38 0.04 -1.26 -4.81 135.00 129.96 2wcg s PRO 428 Ca 0.33 1.25 -0.32 0.00 0.04 0.00 0.00 61.00 62.30 2wcg s PRO 428 Cb 0.08 -1.80 -0.15 0.00 0.04 0.00 0.00 34.50 32.66 2wcg s PRO 428 CO -0.13 -2.20 1.26 -1.91 0.04 0.00 0.00 177.00 174.05 2wcg n GLU 429 N -3.91 1.51 0.00 4.56 2.13 -1.26 -1.40 120.64 122.27 2wcg n GLU 429 Ca 0.10 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.45 2wcg n GLU 429 Cb 0.53 -2.10 0.00 0.00 0.27 0.00 0.00 31.44 30.14 2wcg n GLU 429 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 2wcg n GLY 430 N 2.06 1.27 3.71 8.31 0.00 0.20 -4.88 105.19 115.87 2wcg n GLY 430 Ca 0.14 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.84 2wcg n GLY 430 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2wcg s SER 431 N -1.87 3.75 -0.00 1.61 0.01 -0.49 -4.44 113.70 112.26 2wcg s SER 431 Ca 0.00 2.14 0.01 0.00 1.31 0.00 0.00 55.95 59.42 2wcg s SER 431 Cb 0.00 -2.56 -0.00 0.00 0.21 0.00 0.00 66.02 63.67 2wcg s SER 431 CO 0.00 -2.55 -0.03 -1.58 0.41 0.00 0.00 173.24 169.49 2wcg s GLN 432 N -4.47 0.29 0.32 12.44 0.74 0.15 -0.67 119.66 128.46 2wcg s GLN 432 Ca 0.68 -0.11 -0.27 0.00 0.05 0.00 0.00 55.36 55.71 2wcg s GLN 432 Cb -0.23 -0.29 -0.09 0.00 1.10 0.00 0.00 33.01 33.49 2wcg s GLN 432 CO 0.53 0.06 0.99 0.50 -0.55 0.00 0.00 175.29 176.82 2wcg s ARG 433 N 0.00 4.55 0.34 1.67 3.52 -0.26 -0.04 118.95 128.74 2wcg s ARG 433 Ca 0.00 1.48 0.04 0.00 -0.13 0.00 0.00 55.73 57.12 2wcg s ARG 433 Cb -0.02 -2.90 -0.05 0.00 -1.56 0.00 0.00 34.95 30.42 2wcg s ARG 433 CO -0.00 0.22 0.07 0.14 -0.81 0.00 0.00 175.30 174.92 2wcg s VAL 434 N -1.47 1.04 0.68 7.11 -7.23 -0.55 -0.73 120.40 119.25 2wcg s VAL 434 Ca 0.49 -2.00 -0.12 0.00 -1.81 0.00 0.00 61.98 58.54 2wcg s VAL 434 Cb -0.23 -2.69 0.00 0.00 0.56 0.00 0.00 36.38 34.02 2wcg s VAL 434 CO 0.29 0.00 1.06 -0.83 -0.31 0.00 0.00 175.10 175.31 2wcg s GLY 435 N -3.51 1.77 -0.27 2.32 0.00 -0.90 -4.45 107.32 102.28 2wcg s GLY 435 Ca 0.34 0.17 -0.11 0.00 0.00 0.00 0.00 44.72 45.11 2wcg s GLY 435 CO 0.15 0.48 0.60 -2.27 0.00 0.00 0.00 173.10 172.06 2wcg s LEU 436 N -5.32 -0.92 0.12 0.66 2.96 -1.26 -0.87 118.68 114.05 2wcg s LEU 436 Ca 0.59 1.41 0.08 0.00 -0.22 0.00 0.00 54.13 55.99 2wcg s LEU 436 Cb -0.15 2.09 -0.04 0.00 0.50 0.00 0.00 46.19 48.59 2wcg s LEU 436 CO 0.51 -0.23 -0.20 0.68 -1.32 0.00 0.00 176.35 175.79 2wcg s VAL 437 N 2.38 1.74 -0.05 1.68 -7.23 -0.50 -4.92 120.40 113.50 2wcg s VAL 437 Ca -0.07 -1.65 -0.02 0.00 -1.81 0.00 0.00 61.98 58.44 2wcg s VAL 437 Cb -0.10 -1.64 -0.04 0.00 0.56 0.00 0.00 36.38 35.17 2wcg s VAL 437 CO -0.18 -0.13 0.05 0.00 -0.31 0.00 0.00 175.10 174.53 2wcg s ALA 438 N -1.41 3.47 -0.01 1.32 0.00 -1.26 -0.40 121.76 123.47 2wcg s ALA 438 Ca 0.09 -0.82 0.28 0.00 0.00 0.00 0.00 51.96 51.51 2wcg s ALA 438 Cb -0.09 -1.56 1.00 0.00 0.00 0.00 0.00 23.12 22.47 2wcg s ALA 438 CO 0.05 0.63 1.85 0.66 0.00 0.00 0.00 175.76 178.95 2wcg h SER 439 N 4.68 0.00 -5.06 0.00 4.64 -1.56 -3.47 113.55 112.77 2wcg h SER 439 Ca -0.51 0.00 0.01 0.00 -0.47 0.00 0.00 61.79 60.82 2wcg h SER 439 Cb 1.19 0.00 -0.08 0.00 -0.31 0.00 0.00 62.40 63.20 2wcg h SER 439 CO 0.58 0.07 0.11 0.00 -0.87 0.00 0.00 176.83 176.73 2wcg s GLN 440 N -3.55 1.55 0.38 4.77 -2.07 -1.26 -4.99 119.66 114.50 2wcg s GLN 440 Ca 0.02 -0.91 -0.28 0.00 -1.82 0.00 0.00 55.36 52.37 2wcg s GLN 440 Cb 0.08 0.56 -0.10 0.00 -1.09 0.00 0.00 33.01 32.46 2wcg s GLN 440 CO 0.60 -0.68 1.45 0.15 -1.32 0.00 0.00 175.29 175.48 2wcg s LYS 441 N -3.89 4.07 0.27 9.60 1.02 -1.26 -5.01 119.74 124.53 2wcg s LYS 441 Ca 0.11 2.48 -0.17 0.00 0.02 0.00 0.00 55.97 58.41 2wcg s LYS 441 Cb -0.03 -2.92 0.01 0.00 -0.52 0.00 0.00 37.83 34.37 2wcg s LYS 441 CO 0.01 -0.53 0.61 0.54 -0.92 0.00 0.00 175.35 175.06 2wcg s ASN 442 N -0.27 -0.16 -0.20 2.83 2.20 -1.26 -5.06 114.94 113.02 2wcg s ASN 442 Ca 0.54 -0.78 0.15 0.00 -0.94 0.00 0.00 52.86 51.83 2wcg s ASN 442 Cb -0.45 0.67 0.72 0.00 -2.00 0.00 0.00 41.25 40.19 2wcg s ASN 442 CO 0.60 -1.27 1.64 0.47 -2.94 0.00 0.00 177.10 175.61 2wcg n ASP 443 N -0.47 5.08 -4.89 3.54 8.00 -1.26 -4.99 116.55 121.56 2wcg n ASP 443 Ca -0.03 -2.87 -0.32 0.00 0.71 0.00 0.00 54.79 52.29 2wcg n ASP 443 Cb 0.60 -0.63 -0.05 0.00 -0.02 0.00 0.00 41.12 41.03 2wcg n ASP 443 CO 0.00 0.00 0.00 -0.76 -0.39 0.00 0.00 177.20 176.05 2wcg s LEU 444 N -2.61 4.27 -0.11 0.64 1.43 -1.26 -2.60 118.68 118.44 2wcg s LEU 444 Ca 0.50 0.64 -0.05 0.00 -1.03 0.00 0.00 54.13 54.19 2wcg s LEU 444 Cb 0.38 -3.29 -0.04 0.00 0.03 0.00 0.00 46.19 43.27 2wcg s LEU 444 CO 0.15 0.06 0.07 -1.81 0.23 0.00 0.00 176.35 175.06 2wcg s ASP 445 N -2.34 5.83 -0.04 2.29 1.01 0.81 -4.95 116.67 119.28 2wcg s ASP 445 Ca 0.40 0.30 -0.18 0.00 0.71 0.00 0.00 52.55 53.78 2wcg s ASP 445 Cb -0.12 -1.80 0.04 0.00 1.01 0.00 0.00 42.92 42.04 2wcg s ASP 445 CO 0.23 0.38 0.40 0.00 0.21 0.00 0.00 175.17 176.40 2wcg s ALA 446 N -0.87 -1.02 -0.07 5.23 0.00 -1.26 -0.68 121.76 123.09 2wcg s ALA 446 Ca 0.13 0.66 -0.07 0.00 0.00 0.00 0.00 51.96 52.68 2wcg s ALA 446 Cb -0.12 -0.06 0.02 0.00 0.00 0.00 0.00 23.12 22.96 2wcg s ALA 446 CO 0.03 -0.27 0.20 0.54 0.00 0.00 0.00 175.76 176.26 2wcg s VAL 447 N -1.07 0.01 -0.04 0.00 0.11 -0.87 -5.00 120.40 113.55 2wcg s VAL 447 Ca -0.11 -0.08 0.06 0.00 -2.93 0.00 0.00 61.98 58.92 2wcg s VAL 447 Cb -0.04 -0.32 -0.02 0.00 -1.53 0.00 0.00 36.38 34.47 2wcg s VAL 447 CO 0.05 -0.04 -0.21 0.00 -3.33 0.00 0.00 175.10 171.57 2wcg s ALA 448 N -0.08 2.39 0.07 1.54 0.00 -1.26 -1.71 121.76 122.71 2wcg s ALA 448 Ca -0.02 -1.05 0.01 0.00 0.00 0.00 0.00 51.96 50.90 2wcg s ALA 448 Cb -0.02 -0.74 -0.04 0.00 0.00 0.00 0.00 23.12 22.32 2wcg s ALA 448 CO 0.01 0.54 -0.06 -0.51 0.00 0.00 0.00 175.76 175.73 2wcg s LEU 449 N -0.64 2.44 -0.17 0.00 1.02 0.18 -1.49 118.68 120.02 2wcg s LEU 449 Ca 0.10 -0.88 -0.06 0.00 0.02 0.00 0.00 54.13 53.31 2wcg s LEU 449 Cb -0.10 -0.05 -0.04 0.00 0.02 0.00 0.00 46.19 46.02 2wcg s LEU 449 CO -0.00 -0.42 0.05 -0.04 0.02 0.00 0.00 176.35 175.96 2wcg s MET 450 N -3.22 3.82 0.63 1.70 -1.94 0.94 -1.16 119.30 120.06 2wcg s MET 450 Ca 0.05 -0.35 -0.17 0.00 -1.71 0.00 0.00 55.69 53.51 2wcg s MET 450 Cb 0.01 -3.14 -0.02 0.00 2.01 0.00 0.00 34.83 33.70 2wcg s MET 450 CO -0.04 0.35 1.14 -1.58 -0.01 0.00 0.00 175.02 174.88 2wcg s HIS 451 N 0.14 2.54 0.31 -0.03 2.46 0.11 -0.68 115.29 120.14 2wcg s HIS 451 Ca 0.04 1.55 0.05 0.00 0.47 0.00 0.00 55.06 57.17 2wcg s HIS 451 Cb -0.12 -3.28 0.70 0.00 -0.13 0.00 0.00 32.58 29.74 2wcg s HIS 451 CO 0.01 -1.83 1.81 -1.35 -2.47 0.00 0.00 174.74 170.91 2wcg h PRO 452 N 0.43 0.80 0.00 2.88 0.11 -1.89 0.39 132.00 134.73 2wcg h PRO 452 Ca -0.48 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.58 2wcg h PRO 452 Cb 1.26 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.19 2wcg h PRO 452 CO 0.54 0.53 0.00 -0.40 -0.21 0.00 0.00 178.00 178.47 2wcg n ASP 453 N -4.68 0.00 0.00 -2.05 5.68 -1.26 -4.88 116.55 109.37 2wcg n ASP 453 Ca 0.21 -0.85 0.00 0.00 -0.50 0.00 0.00 54.79 53.65 2wcg n ASP 453 Cb 0.49 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.47 2wcg n ASP 453 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 2wcg n GLY 454 N 0.11 0.84 3.85 6.12 0.00 0.14 -4.95 105.19 111.30 2wcg n GLY 454 Ca 0.07 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.79 2wcg n GLY 454 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 2wcg s SER 455 N -2.76 5.01 0.03 1.61 1.04 -1.26 -4.40 113.70 112.97 2wcg s SER 455 Ca 0.00 1.17 0.01 0.00 0.48 0.00 0.00 55.95 57.60 2wcg s SER 455 Cb 0.00 -1.92 -0.04 0.00 0.10 0.00 0.00 66.02 64.16 2wcg s SER 455 CO 0.00 -1.62 0.10 0.00 0.98 0.00 0.00 173.24 172.70 2wcg s ALA 456 N -3.30 3.64 -0.05 5.32 0.00 0.32 -0.71 121.76 126.98 2wcg s ALA 456 Ca 0.59 -0.90 0.01 0.00 0.00 0.00 0.00 51.96 51.66 2wcg s ALA 456 Cb -0.12 -1.58 0.02 0.00 0.00 0.00 0.00 23.12 21.44 2wcg s ALA 456 CO 0.52 0.73 -0.05 0.08 0.00 0.00 0.00 175.76 177.04 2wcg s VAL 457 N -1.29 0.61 -0.09 0.00 1.01 -0.31 -2.51 120.40 117.82 2wcg s VAL 457 Ca 0.26 -0.14 0.01 0.00 0.00 0.00 0.00 61.98 62.11 2wcg s VAL 457 Cb -0.12 -0.63 0.02 0.00 0.00 0.00 0.00 36.38 35.64 2wcg s VAL 457 CO 0.18 0.25 -0.11 -0.69 0.00 0.00 0.00 175.10 174.73 2wcg s VAL 458 N 1.04 1.14 -0.21 2.92 1.01 -0.34 -0.65 120.40 125.32 2wcg s VAL 458 Ca -0.09 -0.44 -0.07 0.00 0.00 0.00 0.00 61.98 61.39 2wcg s VAL 458 Cb -0.14 -1.08 -0.03 0.00 0.00 0.00 0.00 36.38 35.12 2wcg s VAL 458 CO -0.01 0.37 0.04 -0.69 0.00 0.00 0.00 175.10 174.82 2wcg s VAL 459 N 1.05 4.36 -0.16 2.92 1.01 -0.69 0.08 120.40 128.96 2wcg s VAL 459 Ca -0.07 -0.17 0.01 0.00 0.00 0.00 0.00 61.98 61.74 2wcg s VAL 459 Cb -0.15 -2.99 0.02 0.00 0.00 0.00 0.00 36.38 33.27 2wcg s VAL 459 CO -0.01 0.41 -0.17 -0.69 0.00 0.00 0.00 175.10 174.64 2wcg s VAL 460 N 0.96 1.82 -0.18 2.92 1.01 0.00 -2.06 120.40 124.88 2wcg s VAL 460 Ca 0.03 -0.79 -0.03 0.00 0.00 0.00 0.00 61.98 61.19 2wcg s VAL 460 Cb -0.14 -1.67 -0.01 0.00 0.00 0.00 0.00 36.38 34.55 2wcg s VAL 460 CO 0.02 0.50 -0.07 -0.22 0.00 0.00 0.00 175.10 175.33 2wcg s LEU 461 N 1.38 2.91 -0.44 3.92 2.96 0.14 -0.77 118.68 128.78 2wcg s LEU 461 Ca 0.05 -0.32 -0.17 0.00 -0.22 0.00 0.00 54.13 53.47 2wcg s LEU 461 Cb -0.13 -1.71 0.03 0.00 0.50 0.00 0.00 46.19 44.89 2wcg s LEU 461 CO -0.12 0.08 0.46 0.21 -1.32 0.00 0.00 176.35 175.67 2wcg s ASN 462 N 0.87 6.20 0.10 3.68 3.84 -0.55 -0.14 114.94 128.95 2wcg s ASN 462 Ca -0.02 -0.74 0.26 0.00 0.21 0.00 0.00 52.86 52.57 2wcg s ASN 462 Cb -0.15 -2.23 0.99 0.00 -0.55 0.00 0.00 41.25 39.31 2wcg s ASN 462 CO 0.01 -0.63 1.80 0.54 -2.79 0.00 0.00 177.10 176.02 2wcg n ARG 463 N 5.66 0.11 -3.69 0.43 1.74 -1.07 -2.35 116.66 117.50 2wcg n ARG 463 Ca -0.07 0.15 -0.21 0.00 -0.77 0.00 0.00 57.85 56.95 2wcg n ARG 463 Cb 0.47 -1.65 -0.04 0.00 -1.02 0.00 0.00 32.46 30.22 2wcg n ARG 463 CO 0.00 0.00 0.00 -1.54 -1.52 0.00 0.00 177.63 174.57 2wcg s SER 464 N -3.67 5.03 0.00 0.55 1.04 -1.26 -4.82 113.70 110.57 2wcg s SER 464 Ca 0.11 -0.72 0.29 0.00 0.48 0.00 0.00 55.95 56.10 2wcg s SER 464 Cb 0.14 -0.65 1.23 0.00 0.10 0.00 0.00 66.02 66.84 2wcg s SER 464 CO 0.51 -0.57 1.87 -1.54 0.98 0.00 0.00 173.24 174.49 2wcg n SER 465 N -1.47 0.38 -4.86 7.02 3.41 -1.26 -1.05 113.62 115.79 2wcg n SER 465 Ca 0.02 -0.43 -0.37 0.00 -0.26 0.00 0.00 58.87 57.82 2wcg n SER 465 Cb 0.62 -0.11 -0.06 0.00 -0.26 0.00 0.00 64.21 64.39 2wcg n SER 465 CO 0.00 0.00 0.00 -0.54 -0.16 0.00 0.00 175.04 174.34 2wcg s LYS 466 N -2.55 3.62 0.14 4.33 3.01 -1.26 -4.24 119.74 122.79 2wcg s LYS 466 Ca 0.27 0.04 -0.30 0.00 -1.01 0.00 0.00 55.97 54.97 2wcg s LYS 466 Cb 0.20 -3.21 -0.07 0.00 -1.01 0.00 0.00 37.83 33.74 2wcg s LYS 466 CO 0.49 0.73 1.23 -0.51 0.51 0.00 0.00 175.35 177.80 2wcg s ASP 467 N -0.98 7.04 -0.27 2.83 1.01 -1.26 -3.59 116.67 121.45 2wcg s ASP 467 Ca 0.18 2.18 0.03 0.00 0.71 0.00 0.00 52.55 55.65 2wcg s ASP 467 Cb -0.13 -2.60 0.07 0.00 1.01 0.00 0.00 42.92 41.27 2wcg s ASP 467 CO 0.07 -0.44 -0.08 -0.69 0.21 0.00 0.00 175.17 174.23 2wcg s VAL 468 N 0.45 2.11 0.37 -1.27 1.01 -0.16 -4.90 120.40 118.00 2wcg s VAL 468 Ca 0.56 -1.69 -0.27 0.00 0.00 0.00 0.00 61.98 60.58 2wcg s VAL 468 Cb -0.32 -2.28 -0.09 0.00 0.00 0.00 0.00 36.38 33.68 2wcg s VAL 468 CO 0.33 -0.12 1.26 -2.16 0.00 0.00 0.00 175.10 174.41 2wcg s PRO 469 N 1.11 4.19 0.19 2.72 0.04 -1.26 0.26 135.00 142.24 2wcg s PRO 469 Ca -0.06 2.07 -0.14 0.00 0.04 0.00 0.00 61.00 62.92 2wcg s PRO 469 Cb -0.20 -2.89 0.01 0.00 0.04 0.00 0.00 34.50 31.46 2wcg s PRO 469 CO -0.06 -0.28 0.43 -0.48 0.04 0.00 0.00 177.00 176.66 2wcg s LEU 470 N -2.12 0.42 0.01 -3.56 2.34 -0.41 -4.37 118.68 110.98 2wcg s LEU 470 Ca 0.53 -0.66 0.06 0.00 0.06 0.00 0.00 54.13 54.11 2wcg s LEU 470 Cb -0.36 1.77 -0.02 0.00 -0.56 0.00 0.00 46.19 47.02 2wcg s LEU 470 CO 0.47 -1.01 -0.18 -0.89 -1.06 0.00 0.00 176.35 173.69 2wcg s THR 471 N -3.92 1.43 -0.15 5.48 2.01 -0.69 -0.67 115.64 119.14 2wcg s THR 471 Ca 0.13 -0.89 -0.02 0.00 0.31 0.00 0.00 61.69 61.22 2wcg s THR 471 Cb 0.01 -1.22 -0.02 0.00 0.01 0.00 0.00 72.50 71.28 2wcg s THR 471 CO -0.01 0.31 -0.08 -0.63 -0.69 0.00 0.00 174.62 173.52 2wcg s ILE 472 N -0.56 3.52 -0.21 1.82 1.01 -0.77 -0.34 121.20 125.67 2wcg s ILE 472 Ca 0.06 -0.49 -0.07 0.00 0.00 0.00 0.00 60.65 60.16 2wcg s ILE 472 Cb -0.07 -2.52 -0.03 0.00 0.01 0.00 0.00 42.46 39.85 2wcg s ILE 472 CO 0.00 0.50 0.04 -0.75 0.00 0.00 0.00 174.94 174.74 2wcg s LYS 473 N 0.38 3.72 -0.33 2.79 2.20 0.67 -1.07 119.74 128.12 2wcg s LYS 473 Ca -0.07 -0.46 -0.08 0.00 -0.36 0.00 0.00 55.97 55.01 2wcg s LYS 473 Cb -0.15 -3.21 0.02 0.00 -1.51 0.00 0.00 37.83 32.99 2wcg s LYS 473 CO 0.04 0.00 0.12 0.34 -0.36 0.00 0.00 175.35 175.49 2wcg s ASP 474 N 1.08 5.33 0.20 1.43 -1.08 -0.09 -1.40 116.67 122.14 2wcg s ASP 474 Ca 0.03 -0.92 -0.32 0.00 -0.52 0.00 0.00 52.55 50.82 2wcg s ASP 474 Cb -0.14 -1.91 -0.13 0.00 -1.46 0.00 0.00 42.92 39.28 2wcg s ASP 474 CO 0.03 -0.28 1.53 -2.65 0.52 0.00 0.00 175.17 174.32 2wcg n PRO 475 N 4.87 2.20 -0.97 4.34 -0.02 -1.26 -1.28 135.00 142.89 2wcg n PRO 475 Ca -0.13 0.79 -0.00 0.00 -2.02 0.00 0.00 63.50 62.14 2wcg n PRO 475 Cb 0.46 -2.53 -0.00 0.00 -0.02 0.00 0.00 33.50 31.41 2wcg n PRO 475 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2wcg n ALA 476 N 2.82 -0.00 -0.03 3.55 0.00 -1.26 -4.73 120.51 120.86 2wcg n ALA 476 Ca 0.14 0.00 -0.05 0.00 0.00 0.00 0.00 53.44 53.53 2wcg n ALA 476 Cb 0.31 -1.45 -0.02 0.00 0.00 0.00 0.00 19.45 18.28 2wcg n ALA 476 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 177.50 179.05 2wcg n VAL 477 N -1.94 0.33 -2.25 0.00 3.14 -0.61 -5.11 118.33 111.89 2wcg n VAL 477 Ca -0.00 -0.10 0.00 0.00 -2.96 0.00 0.00 64.34 61.27 2wcg n VAL 477 Cb 0.48 -1.14 0.00 0.00 -1.06 0.00 0.00 33.84 32.12 2wcg n VAL 477 CO 0.00 0.00 0.00 0.61 -6.46 0.00 0.00 176.83 170.98 2wcg n GLY 478 N 2.92 -0.20 3.30 7.55 0.00 -0.40 -4.86 105.19 113.50 2wcg n GLY 478 Ca -0.11 -1.51 -0.31 0.00 0.00 0.00 0.00 46.02 44.09 2wcg n GLY 478 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 2wcg s PHE 479 N -2.69 2.38 -0.23 1.61 0.40 0.77 -0.91 117.98 119.30 2wcg s PHE 479 Ca 0.00 -0.53 -0.06 0.00 -0.60 0.00 0.00 56.93 55.74 2wcg s PHE 479 Cb 0.00 -1.54 -0.02 0.00 0.51 0.00 0.00 43.02 41.97 2wcg s PHE 479 CO 0.00 -0.10 0.04 -0.51 0.70 0.00 0.00 175.22 175.35 2wcg s LEU 480 N -0.46 3.33 -0.14 -0.37 1.02 -0.23 -0.35 118.68 121.47 2wcg s LEU 480 Ca 0.05 -0.23 -0.16 0.00 0.02 0.00 0.00 54.13 53.82 2wcg s LEU 480 Cb -0.11 -1.87 -0.04 0.00 0.02 0.00 0.00 46.19 44.18 2wcg s LEU 480 CO 0.01 -0.00 0.38 -1.61 0.02 0.00 0.00 176.35 175.14 2wcg s GLU 481 N 1.42 4.29 0.33 1.70 0.41 -1.26 -1.85 118.70 123.75 2wcg s GLU 481 Ca 0.05 0.26 -0.05 0.00 -0.41 0.00 0.00 54.97 54.82 2wcg s GLU 481 Cb -0.15 -3.44 0.00 0.00 -1.78 0.00 0.00 34.13 28.77 2wcg s GLU 481 CO 0.02 0.19 0.49 -0.08 -0.49 0.00 0.00 175.26 175.39 2wcg s THR 482 N 0.59 0.00 -0.00 3.63 -1.32 0.16 -5.01 115.64 113.68 2wcg s THR 482 Ca 0.21 -1.53 0.04 0.00 -1.21 0.00 0.00 61.69 59.20 2wcg s THR 482 Cb -0.14 -2.59 -0.01 0.00 -1.51 0.00 0.00 72.50 68.25 2wcg s THR 482 CO 0.07 0.00 -0.13 -0.51 -2.21 0.00 0.00 174.62 171.84 2wcg s ILE 483 N -3.17 1.02 -0.46 5.08 -1.16 -1.26 -1.29 121.20 119.95 2wcg s ILE 483 Ca 0.28 -0.63 -0.08 0.00 -0.51 0.00 0.00 60.65 59.71 2wcg s ILE 483 Cb -0.01 -0.87 0.12 0.00 0.61 0.00 0.00 42.46 42.32 2wcg s ILE 483 CO 0.18 0.23 0.32 -0.55 -2.81 0.00 0.00 174.94 172.30 2wcg s SER 484 N -0.46 5.62 0.65 4.50 0.15 0.14 -4.93 113.70 119.37 2wcg s SER 484 Ca 0.04 -1.95 -0.18 0.00 0.70 0.00 0.00 55.95 54.56 2wcg s SER 484 Cb -0.05 -1.97 -0.01 0.00 -1.71 0.00 0.00 66.02 62.27 2wcg s SER 484 CO -0.00 -0.66 1.26 -2.84 1.20 0.00 0.00 173.24 172.19 2wcg s PRO 485 N 1.30 2.57 0.17 5.44 0.02 -1.26 -0.99 135.00 142.24 2wcg s PRO 485 Ca 0.06 1.95 -0.34 0.00 0.02 0.00 0.00 61.00 62.69 2wcg s PRO 485 Cb -0.25 -1.86 -0.15 0.00 0.02 0.00 0.00 34.50 32.25 2wcg s PRO 485 CO -0.02 -1.55 1.33 0.41 -0.33 0.00 0.00 177.00 176.84 2wcg n GLY 486 N 0.70 0.50 3.79 0.52 0.00 -1.24 -1.80 105.19 107.67 2wcg n GLY 486 Ca 0.15 0.58 0.00 0.00 0.00 0.00 0.00 46.02 46.75 2wcg n GLY 486 CO 0.00 0.00 0.00 -1.72 0.00 0.00 0.00 173.32 171.60 2wcg n TYR 487 N 2.16 0.00 -1.20 1.61 0.53 -0.21 -4.81 117.16 115.24 2wcg n TYR 487 Ca 0.15 0.00 -0.29 0.00 -1.02 0.00 0.00 57.90 56.75 2wcg n TYR 487 Cb 0.26 -0.19 0.17 0.00 -1.03 0.00 0.00 39.34 38.55 2wcg n TYR 487 CO 0.00 0.00 0.00 -1.54 -1.02 0.00 0.00 176.86 174.30 2wcg s SER 488 N -2.48 2.77 -0.03 7.72 1.04 -0.75 -4.64 113.70 117.32 2wcg s SER 488 Ca 0.00 1.20 0.01 0.00 0.48 0.00 0.00 55.95 57.65 2wcg s SER 488 Cb 0.00 -1.86 0.01 0.00 0.10 0.00 0.00 66.02 64.27 2wcg s SER 488 CO 0.00 -3.04 -0.06 -0.51 0.98 0.00 0.00 173.24 170.61 2wcg s ILE 489 N -2.99 0.56 0.06 -1.02 2.07 -0.33 -1.47 121.20 118.08 2wcg s ILE 489 Ca 0.65 -0.19 0.09 0.00 -1.41 0.00 0.00 60.65 59.79 2wcg s ILE 489 Cb -0.18 -0.54 -0.03 0.00 0.13 0.00 0.00 42.46 41.84 2wcg s ILE 489 CO 0.57 0.21 -0.24 -1.00 -1.91 0.00 0.00 174.94 172.57 2wcg s HIS 490 N 0.55 2.08 -0.10 3.50 3.76 0.05 -1.28 115.29 123.84 2wcg s HIS 490 Ca -0.07 -0.39 0.04 0.00 -0.15 0.00 0.00 55.06 54.48 2wcg s HIS 490 Cb -0.11 -1.21 0.00 0.00 1.11 0.00 0.00 32.58 32.37 2wcg s HIS 490 CO 0.00 0.15 -0.22 0.99 -0.85 0.00 0.00 174.74 174.81 2wcg s THR 491 N -0.88 1.92 -0.14 1.30 2.01 -0.31 -0.82 115.64 118.71 2wcg s THR 491 Ca 0.10 -0.93 -0.05 0.00 0.31 0.00 0.00 61.69 61.11 2wcg s THR 491 Cb -0.10 -1.67 -0.04 0.00 0.01 0.00 0.00 72.50 70.71 2wcg s THR 491 CO 0.03 0.53 0.03 -0.31 -0.69 0.00 0.00 174.62 174.20 2wcg s TYR 492 N 0.43 3.20 -0.03 4.92 1.51 0.11 -0.76 117.35 126.73 2wcg s TYR 492 Ca -0.17 0.05 0.03 0.00 -1.01 0.00 0.00 57.07 55.97 2wcg s TYR 492 Cb -0.17 -1.96 -0.00 0.00 -0.11 0.00 0.00 41.96 39.71 2wcg s TYR 492 CO 0.07 0.24 -0.12 -0.51 -1.11 0.00 0.00 175.55 174.12 2wcg s LEU 493 N -0.08 1.86 0.04 -1.29 1.43 -0.25 -1.20 118.68 119.19 2wcg s LEU 493 Ca 0.05 -0.25 -0.18 0.00 -1.03 0.00 0.00 54.13 52.72 2wcg s LEU 493 Cb -0.12 -0.71 0.04 0.00 0.03 0.00 0.00 46.19 45.42 2wcg s LEU 493 CO 0.02 0.11 0.41 -1.66 0.23 0.00 0.00 176.35 175.45 2wcg s TRP 494 N 0.08 -0.27 0.11 0.29 -2.14 -1.04 -0.88 118.94 115.09 2wcg s TRP 494 Ca -0.02 0.23 -0.25 0.00 2.66 0.00 0.00 56.10 58.72 2wcg s TRP 494 Cb -0.09 0.22 -0.07 0.00 -3.10 0.00 0.00 33.47 30.43 2wcg s TRP 494 CO 0.01 -0.57 0.76 -1.01 -2.66 0.00 0.00 176.95 173.48 2wcg s HIS 495 N -2.44 3.83 -0.01 1.66 3.76 -1.26 -0.52 115.29 120.31 2wcg s HIS 495 Ca -0.05 1.55 -0.04 0.00 -0.15 0.00 0.00 55.06 56.37 2wcg s HIS 495 Cb -0.01 -2.77 -0.02 0.00 1.11 0.00 0.00 32.58 30.89 2wcg s HIS 495 CO -0.02 0.42 -0.08 0.54 -0.85 0.00 0.00 174.74 174.75 2wcg n ARG 496 N 2.09 0.13 0.00 1.40 1.74 -1.26 -4.93 116.66 115.84 2wcg n ARG 496 Ca -0.05 0.05 0.02 0.00 -0.77 0.00 0.00 57.85 57.11 2wcg n ARG 496 Cb 0.49 -0.72 0.12 0.00 -1.02 0.00 0.00 32.46 31.33 2wcg n ARG 496 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11