#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rjr s PHE 8 N 0.00 2.83 0.10 0.54 0.08 -0.77 -4.86 117.98 115.90 1rjr s PHE 8 Ca 0.00 1.53 -0.16 0.00 0.12 0.00 0.00 56.93 58.43 1rjr s PHE 8 Cb 0.00 -3.09 -0.06 0.00 -0.57 0.00 0.00 43.02 39.30 1rjr s PHE 8 CO 0.00 -1.35 1.49 -0.44 -0.10 0.00 0.00 175.22 174.83 1rjr h ASP 9 N 0.42 0.66 -5.03 1.36 3.32 -0.85 -1.00 116.42 115.29 1rjr h ASP 9 Ca -0.47 -0.38 -0.03 0.00 0.02 0.00 0.00 57.03 56.16 1rjr h ASP 9 Cb 1.23 -0.18 -0.13 0.00 0.22 0.00 0.00 39.33 40.48 1rjr h ASP 9 CO 0.56 0.89 0.09 -0.72 -1.72 0.00 0.00 179.24 178.35 1rjr s TYR 10 N -4.71 -0.41 -0.05 4.55 1.13 -1.20 -3.16 117.35 113.51 1rjr s TYR 10 Ca -0.13 0.18 0.03 0.00 -1.41 0.00 0.00 57.07 55.74 1rjr s TYR 10 Cb 0.09 0.43 0.00 0.00 -1.10 0.00 0.00 41.96 41.38 1rjr s TYR 10 CO 0.80 -0.78 -0.14 0.42 -2.51 0.00 0.00 175.55 173.34 1rjr s ILE 11 N -3.67 1.20 -0.53 -3.49 1.01 0.05 -1.50 121.20 114.27 1rjr s ILE 11 Ca 0.01 -0.56 -0.18 0.00 0.00 0.00 0.00 60.65 59.92 1rjr s ILE 11 Cb 0.00 -1.06 0.08 0.00 0.01 0.00 0.00 42.46 41.49 1rjr s ILE 11 CO -0.12 0.36 0.61 -0.76 0.00 0.00 0.00 174.94 175.03 1rjr s LEU 12 N 0.31 5.28 0.16 2.97 1.43 0.13 -0.33 118.68 128.64 1rjr s LEU 12 Ca -0.08 -1.20 0.09 0.00 -1.03 0.00 0.00 54.13 51.91 1rjr s LEU 12 Cb -0.13 -2.34 -0.04 0.00 0.03 0.00 0.00 46.19 43.71 1rjr s LEU 12 CO 0.03 -0.92 -0.12 -0.94 0.23 0.00 0.00 176.35 174.62 1rjr s SER 13 N 3.04 4.16 0.00 2.29 1.04 -0.10 -1.78 113.70 122.35 1rjr s SER 13 Ca 0.11 -0.56 0.00 0.00 0.48 0.00 0.00 55.95 55.98 1rjr s SER 13 Cb -0.22 -0.68 0.00 0.00 0.10 0.00 0.00 66.02 65.22 1rjr s SER 13 CO 0.09 0.13 0.00 0.61 0.98 0.00 0.00 173.24 175.05 1rjr n GLY 14 N 0.29 0.75 0.00 7.32 0.00 -1.26 -1.02 105.19 111.28 1rjr n GLY 14 Ca -0.12 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.90 1rjr n GLY 14 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjr n GLY 15 N -2.04 1.67 3.39 -0.02 0.00 -1.25 -4.07 105.19 102.86 1rjr n GLY 15 Ca 0.00 -2.09 -0.35 0.00 0.00 0.00 0.00 46.02 43.58 1rjr n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rjr s THR 16 N 0.84 3.66 -0.06 2.61 2.01 -0.61 -1.96 115.64 122.13 1rjr s THR 16 Ca 0.00 -0.41 -0.16 0.00 0.31 0.00 0.00 61.69 61.43 1rjr s THR 16 Cb 0.00 -2.65 -0.05 0.00 0.01 0.00 0.00 72.50 69.81 1rjr s THR 16 CO 0.00 0.43 0.43 -0.69 -0.69 0.00 0.00 174.62 174.10 1rjr s VAL 17 N 1.15 5.11 -0.37 3.82 1.01 0.50 -0.92 120.40 130.70 1rjr s VAL 17 Ca 0.02 0.87 0.03 0.00 0.00 0.00 0.00 61.98 62.91 1rjr s VAL 17 Cb -0.15 -3.76 0.11 0.00 0.00 0.00 0.00 36.38 32.59 1rjr s VAL 17 CO 0.00 0.45 0.10 -0.63 0.00 0.00 0.00 175.10 175.02 1rjr s ILE 18 N -0.19 2.15 -2.00 2.22 1.01 -0.97 -1.48 121.20 121.93 1rjr s ILE 18 Ca 0.24 -2.42 0.17 0.00 0.00 0.00 0.00 60.65 58.64 1rjr s ILE 18 Cb -0.16 -2.57 0.48 0.00 0.01 0.00 0.00 42.46 40.22 1rjr s ILE 18 CO 0.11 -0.65 1.44 -0.90 0.00 0.00 0.00 174.94 174.94 1rjr n ASP 19 N 4.10 0.00 0.00 3.58 5.68 -1.26 -4.14 116.55 124.51 1rjr n ASP 19 Ca 0.04 -0.76 0.00 0.00 -0.50 0.00 0.00 54.79 53.57 1rjr n ASP 19 Cb 0.40 0.00 0.00 0.00 -1.14 0.00 0.00 41.12 40.38 1rjr n ASP 19 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1rjr n GLY 20 N 0.26 0.77 1.75 6.12 0.00 -1.26 -0.98 105.19 111.85 1rjr n GLY 20 Ca 0.13 0.00 0.07 0.00 0.00 0.00 0.00 46.02 46.22 1rjr n GLY 20 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1rjr n THR 21 N -2.39 2.62 -3.52 2.61 -2.24 -1.26 -3.50 114.28 106.60 1rjr n THR 21 Ca 0.00 -1.44 -0.21 0.00 -2.27 0.00 0.00 64.05 60.13 1rjr n THR 21 Cb 0.00 -0.23 0.06 0.00 -2.10 0.00 0.00 70.33 68.06 1rjr n THR 21 CO 0.00 0.00 0.00 -3.20 -0.57 0.00 0.00 175.07 171.30 1rjr n ASN 22 N 0.55 -3.69 -4.08 3.42 5.15 -1.26 -5.03 115.26 110.33 1rjr n ASN 22 Ca 0.27 -0.79 -0.20 0.00 -0.60 0.00 0.00 54.58 53.25 1rjr n ASN 22 Cb 1.14 -4.44 -0.15 0.00 -0.53 0.00 0.00 39.78 35.80 1rjr n ASN 22 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rjr s ALA 23 N -3.50 0.99 0.50 5.20 0.00 -1.26 -4.92 121.76 118.77 1rjr s ALA 23 Ca 0.22 -0.56 -0.20 0.00 0.00 0.00 0.00 51.96 51.43 1rjr s ALA 23 Cb -0.05 -0.23 -0.10 0.00 0.00 0.00 0.00 23.12 22.74 1rjr s ALA 23 CO 0.79 0.23 0.61 -2.30 0.00 0.00 0.00 175.76 175.09 1rjr n PRO 24 N 2.62 0.66 -1.41 0.00 -0.02 -1.26 -4.73 135.00 130.85 1rjr n PRO 24 Ca -0.15 0.25 -0.32 0.00 -2.02 0.00 0.00 63.50 61.26 1rjr n PRO 24 Cb 0.56 -1.70 0.08 0.00 -0.02 0.00 0.00 33.50 32.42 1rjr n PRO 24 CO 0.00 0.00 0.00 0.20 1.98 0.00 0.00 175.50 177.68 1rjr s GLY 25 N -1.05 1.97 0.02 -1.23 0.00 -1.26 -4.93 107.32 100.85 1rjr s GLY 25 Ca 0.67 0.51 0.01 0.00 0.00 0.00 0.00 44.72 45.91 1rjr s GLY 25 CO 0.56 0.88 -0.04 1.09 0.00 0.00 0.00 173.10 175.59 1rjr s ARG 26 N -4.40 0.33 0.02 2.90 1.70 -0.55 -4.92 118.95 114.04 1rjr s ARG 26 Ca 0.66 -0.55 -0.30 0.00 -0.47 0.00 0.00 55.73 55.07 1rjr s ARG 26 Cb -0.21 -0.02 -0.07 0.00 -0.57 0.00 0.00 34.95 34.08 1rjr s ARG 26 CO 0.49 -0.01 1.64 -0.51 -1.08 0.00 0.00 175.30 175.83 1rjr s LEU 27 N -1.25 4.35 -0.10 -1.89 1.43 -1.26 -0.37 118.68 119.59 1rjr s LEU 27 Ca -0.12 2.37 -0.30 0.00 -1.03 0.00 0.00 54.13 55.05 1rjr s LEU 27 Cb -0.08 -3.55 0.12 0.00 0.03 0.00 0.00 46.19 42.70 1rjr s LEU 27 CO -0.01 -0.89 0.98 0.00 0.23 0.00 0.00 176.35 176.66 1rjr s ALA 28 N 3.15 -1.90 0.35 4.21 0.00 -0.83 -4.88 121.76 121.86 1rjr s ALA 28 Ca 0.73 1.34 0.05 0.00 0.00 0.00 0.00 51.96 54.09 1rjr s ALA 28 Cb -0.37 -0.16 -0.01 0.00 0.00 0.00 0.00 23.12 22.58 1rjr s ALA 28 CO 0.31 -0.50 0.51 -0.51 0.00 0.00 0.00 175.76 175.57 1rjr s ASP 29 N -1.82 5.97 -0.09 0.00 1.01 0.14 -4.05 116.67 117.82 1rjr s ASP 29 Ca 0.02 -0.04 -0.01 0.00 0.71 0.00 0.00 52.55 53.23 1rjr s ASP 29 Cb -0.01 -1.37 0.03 0.00 1.01 0.00 0.00 42.92 42.58 1rjr s ASP 29 CO -0.04 -0.46 -0.03 -0.69 0.21 0.00 0.00 175.17 174.16 1rjr s VAL 30 N -2.25 0.66 -0.16 -1.27 1.01 -0.73 -1.77 120.40 115.88 1rjr s VAL 30 Ca 0.45 -0.08 -0.07 0.00 0.00 0.00 0.00 61.98 62.28 1rjr s VAL 30 Cb -0.10 -0.77 -0.04 0.00 0.00 0.00 0.00 36.38 35.48 1rjr s VAL 30 CO 0.33 0.29 0.06 -0.83 0.00 0.00 0.00 175.10 174.95 1rjr s GLY 31 N 1.86 1.93 -0.03 4.51 0.00 0.21 -0.69 107.32 115.10 1rjr s GLY 31 Ca 0.05 -0.74 0.05 0.00 0.00 0.00 0.00 44.72 44.08 1rjr s GLY 31 CO -0.07 -0.07 -0.17 0.14 0.00 0.00 0.00 173.10 172.94 1rjr s VAL 32 N 0.07 2.84 -0.15 1.40 1.01 -0.56 0.11 120.40 125.12 1rjr s VAL 32 Ca 0.05 -0.85 -0.03 0.00 0.00 0.00 0.00 61.98 61.15 1rjr s VAL 32 Cb -0.12 -2.10 0.05 0.00 0.00 0.00 0.00 36.38 34.21 1rjr s VAL 32 CO 0.01 0.56 0.05 -0.60 0.00 0.00 0.00 175.10 175.12 1rjr s ARG 33 N -0.78 0.34 7.20 2.72 3.52 -0.57 -0.09 118.95 131.28 1rjr s ARG 33 Ca 0.12 -0.11 0.00 0.00 -0.13 0.00 0.00 55.73 55.61 1rjr s ARG 33 Cb -0.10 -1.63 0.00 0.00 -1.56 0.00 0.00 34.95 31.66 1rjr s ARG 33 CO 0.01 -0.56 0.00 0.41 -0.81 0.00 0.00 175.30 174.35 1rjr n GLY 34 N 5.18 2.28 1.32 8.12 0.00 -1.26 -2.36 105.19 118.48 1rjr n GLY 34 Ca -0.07 -0.34 0.10 0.00 0.00 0.00 0.00 46.02 45.71 1rjr n GLY 34 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 1rjr n ASP 35 N 6.05 3.87 -4.43 1.61 5.75 -1.26 -4.30 116.55 123.84 1rjr n ASP 35 Ca 0.00 -2.12 -0.27 0.00 -0.01 0.00 0.00 54.79 52.39 1rjr n ASP 35 Cb 0.00 -0.48 -0.12 0.00 -1.03 0.00 0.00 41.12 39.49 1rjr n ASP 35 CO 0.00 0.00 0.00 -0.13 -0.11 0.00 0.00 177.20 176.96 1rjr s ARG 36 N -1.31 1.56 -0.35 0.11 1.81 -1.00 -0.59 118.95 119.18 1rjr s ARG 36 Ca 0.46 -1.48 -0.26 0.00 -1.72 0.00 0.00 55.73 52.73 1rjr s ARG 36 Cb 0.26 -1.88 0.01 0.00 -0.45 0.00 0.00 34.95 32.89 1rjr s ARG 36 CO 0.28 0.41 0.94 0.42 -0.68 0.00 0.00 175.30 176.67 1rjr s ILE 37 N -1.60 4.60 0.00 1.52 1.01 0.04 -1.52 121.20 125.25 1rjr s ILE 37 Ca 0.20 1.30 -0.17 0.00 0.00 0.00 0.00 60.65 61.99 1rjr s ILE 37 Cb -0.08 -4.32 -0.34 0.00 0.01 0.00 0.00 42.46 37.72 1rjr s ILE 37 CO 0.10 -0.48 0.93 0.00 0.00 0.00 0.00 174.94 175.48 1rjr h ALA 38 N 8.35 -0.11 -2.95 9.38 0.00 0.46 0.14 119.26 134.53 1rjr h ALA 38 Ca -0.23 -0.86 -0.02 0.00 0.00 0.00 0.00 54.91 53.79 1rjr h ALA 38 Cb 1.08 0.20 -0.12 0.00 0.00 0.00 0.00 17.79 18.95 1rjr h ALA 38 CO 0.98 0.66 0.15 0.00 0.00 0.00 0.00 179.25 181.04 1rjr s ALA 39 N -2.56 -1.45 -0.01 0.00 0.00 -1.14 -4.58 121.76 112.03 1rjr s ALA 39 Ca -0.11 0.36 0.00 0.00 0.00 0.00 0.00 51.96 52.21 1rjr s ALA 39 Cb 0.03 0.85 0.01 0.00 0.00 0.00 0.00 23.12 24.02 1rjr s ALA 39 CO 0.91 -0.75 0.01 0.08 0.00 0.00 0.00 175.76 176.01 1rjr s VAL 40 N -3.77 -0.00 -4.74 0.00 1.01 -1.26 -0.62 120.40 111.03 1rjr s VAL 40 Ca 0.02 0.08 0.00 0.00 0.00 0.00 0.00 61.98 62.08 1rjr s VAL 40 Cb -0.01 -0.06 0.00 0.00 0.00 0.00 0.00 36.38 36.32 1rjr s VAL 40 CO -0.12 0.04 0.00 0.61 0.00 0.00 0.00 175.10 175.63 1rjr n GLY 41 N 3.55 0.75 3.55 4.51 0.00 -0.73 -4.94 105.19 111.88 1rjr n GLY 41 Ca -0.19 -1.66 -0.43 0.00 0.00 0.00 0.00 46.02 43.74 1rjr n GLY 41 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1rjr s ASP 42 N -4.00 6.42 -0.22 1.61 -1.08 -1.26 0.23 116.67 118.37 1rjr s ASP 42 Ca 0.00 -0.08 0.15 0.00 -0.52 0.00 0.00 52.55 52.10 1rjr s ASP 42 Cb 0.00 -2.49 0.61 0.00 -1.46 0.00 0.00 42.92 39.58 1rjr s ASP 42 CO 0.00 -1.31 1.53 0.18 0.52 0.00 0.00 175.17 176.10 1rjr n LEU 43 N 7.82 4.52 0.09 -1.34 4.77 -1.26 -4.63 117.00 126.98 1rjr n LEU 43 Ca 0.05 -3.09 0.10 0.00 -0.03 0.00 0.00 56.01 53.04 1rjr n LEU 43 Cb 0.48 -0.60 0.57 0.00 -2.33 0.00 0.00 43.42 41.54 1rjr n LEU 43 CO 0.67 0.73 1.13 0.77 -1.33 0.00 0.00 177.39 179.36 1rjr h SER 44 N 2.25 0.18 -0.02 -1.43 4.64 -2.02 -0.94 113.55 116.22 1rjr h SER 44 Ca 0.05 -0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.37 1rjr h SER 44 Cb 1.67 -0.04 0.00 0.00 -0.31 0.00 0.00 62.40 63.72 1rjr h SER 44 CO 0.35 0.12 0.00 0.00 -0.87 0.00 0.00 176.83 176.43 1rjr n ALA 45 N -2.54 2.63 -2.69 5.18 0.00 -1.26 -4.82 120.51 117.01 1rjr n ALA 45 Ca 0.03 -0.30 -0.36 0.00 0.00 0.00 0.00 53.44 52.80 1rjr n ALA 45 Cb 0.22 -1.34 -0.08 0.00 0.00 0.00 0.00 19.45 18.24 1rjr n ALA 45 CO 0.00 0.00 0.00 -1.12 0.00 0.00 0.00 177.50 176.38 1rjr s SER 46 N -1.94 6.23 0.38 0.00 0.01 -0.36 -5.06 113.70 112.95 1rjr s SER 46 Ca 0.42 0.25 -0.27 0.00 1.31 0.00 0.00 55.95 57.65 1rjr s SER 46 Cb 0.21 -2.12 -0.09 0.00 0.21 0.00 0.00 66.02 64.22 1rjr s SER 46 CO 0.34 0.09 1.32 -0.55 0.41 0.00 0.00 173.24 174.85 1rjr s SER 47 N 0.75 6.49 -0.04 2.44 0.15 -1.26 -4.94 113.70 117.28 1rjr s SER 47 Ca 0.10 2.70 -0.18 0.00 0.70 0.00 0.00 55.95 59.27 1rjr s SER 47 Cb -0.13 -2.64 0.03 0.00 -1.71 0.00 0.00 66.02 61.57 1rjr s SER 47 CO 0.03 -0.73 0.39 0.00 1.20 0.00 0.00 173.24 174.13 1rjr s ALA 48 N -1.21 -1.00 -0.02 5.45 0.00 -1.26 -1.85 121.76 121.87 1rjr s ALA 48 Ca 0.54 0.62 0.28 0.00 0.00 0.00 0.00 51.96 53.40 1rjr s ALA 48 Cb -0.39 -0.04 0.94 0.00 0.00 0.00 0.00 23.12 23.63 1rjr s ALA 48 CO 0.51 -0.27 1.83 0.00 0.00 0.00 0.00 175.76 177.83 1rjr h ARG 49 N 3.92 0.00 -2.73 0.00 3.08 -1.22 -3.44 114.38 114.00 1rjr h ARG 49 Ca -0.29 0.00 -0.12 0.00 0.07 0.00 0.00 59.98 59.64 1rjr h ARG 49 Cb 1.17 0.00 -0.24 0.00 0.08 0.00 0.00 29.97 30.99 1rjr h ARG 49 CO 0.38 0.09 -0.22 1.03 -1.07 0.00 0.00 179.97 180.18 1rjr s ARG 50 N -3.52 0.52 -0.33 0.04 0.52 -1.19 -5.01 118.95 109.99 1rjr s ARG 50 Ca 0.02 0.52 0.02 0.00 -0.52 0.00 0.00 55.73 55.78 1rjr s ARG 50 Cb 0.08 0.25 0.10 0.00 0.52 0.00 0.00 34.95 35.90 1rjr s ARG 50 CO 0.61 -0.07 0.06 0.50 0.02 0.00 0.00 175.30 176.42 1rjr s ARG 51 N 0.08 1.22 -0.41 3.54 3.52 -1.26 -0.77 118.95 124.86 1rjr s ARG 51 Ca -0.01 -1.56 -0.24 0.00 -0.13 0.00 0.00 55.73 53.79 1rjr s ARG 51 Cb -0.03 -2.76 0.02 0.00 -1.56 0.00 0.00 34.95 30.62 1rjr s ARG 51 CO 0.01 -0.94 0.81 0.42 -0.81 0.00 0.00 175.30 174.79 1rjr s ILE 52 N 1.17 4.66 -0.16 4.11 1.01 0.56 -4.89 121.20 127.65 1rjr s ILE 52 Ca 0.10 0.71 -0.29 0.00 0.00 0.00 0.00 60.65 61.17 1rjr s ILE 52 Cb -0.18 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 37.97 1rjr s ILE 52 CO -0.14 -0.60 1.55 -0.62 0.00 0.00 0.00 174.94 175.13 1rjr s ASP 53 N 2.01 6.58 -0.22 3.58 2.15 -1.26 -0.92 116.67 128.58 1rjr s ASP 53 Ca 0.32 1.81 0.12 0.00 0.43 0.00 0.00 52.55 55.22 1rjr s ASP 53 Cb -0.12 -2.53 0.44 0.00 -0.30 0.00 0.00 42.92 40.41 1rjr s ASP 53 CO 0.20 -1.06 1.20 1.33 -0.17 0.00 0.00 175.17 176.67 1rjr n VAL 54 N 5.93 2.05 -1.75 1.11 0.24 -0.19 -4.93 118.33 120.80 1rjr n VAL 54 Ca 0.17 -3.37 -0.42 0.00 -2.04 0.00 0.00 64.34 58.68 1rjr n VAL 54 Cb 0.44 -0.34 -0.01 0.00 -1.47 0.00 0.00 33.84 32.47 1rjr n VAL 54 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjr n ALA 55 N -0.78 2.19 -0.14 2.33 0.00 -1.25 -1.38 120.51 121.48 1rjr n ALA 55 Ca 0.26 0.36 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1rjr n ALA 55 Cb 0.84 -2.40 0.00 0.00 0.00 0.00 0.00 19.45 17.89 1rjr n ALA 55 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1rjr n GLY 56 N 1.23 1.91 3.90 0.00 0.00 -1.26 -4.97 105.19 106.00 1rjr n GLY 56 Ca 0.05 0.00 -0.20 0.00 0.00 0.00 0.00 46.02 45.87 1rjr n GLY 56 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjr s LYS 57 N -0.28 2.60 -0.07 1.61 -0.14 -0.48 -4.61 119.74 118.37 1rjr s LYS 57 Ca 0.00 -1.47 0.02 0.00 -1.36 0.00 0.00 55.97 53.16 1rjr s LYS 57 Cb 0.00 -2.45 -0.03 0.00 -1.68 0.00 0.00 37.83 33.67 1rjr s LYS 57 CO 0.00 -0.20 -0.11 0.08 -0.76 0.00 0.00 175.35 174.36 1rjr s VAL 58 N -2.44 3.31 -0.22 3.17 1.01 0.11 -1.57 120.40 123.76 1rjr s VAL 58 Ca 0.49 -0.62 -0.04 0.00 0.00 0.00 0.00 61.98 61.82 1rjr s VAL 58 Cb -0.05 -2.34 -0.00 0.00 0.00 0.00 0.00 36.38 33.99 1rjr s VAL 58 CO 0.29 0.58 -0.05 -0.69 0.00 0.00 0.00 175.10 175.23 1rjr s VAL 59 N -0.59 3.29 0.35 2.92 1.01 -0.10 -1.57 120.40 125.71 1rjr s VAL 59 Ca 0.08 -0.54 0.03 0.00 0.00 0.00 0.00 61.98 61.55 1rjr s VAL 59 Cb -0.11 -2.50 -0.04 0.00 0.00 0.00 0.00 36.38 33.72 1rjr s VAL 59 CO 0.01 0.41 0.11 -0.94 0.00 0.00 0.00 175.10 174.70 1rjr s SER 60 N 1.46 2.28 0.77 3.32 1.04 -0.22 -2.29 113.70 120.06 1rjr s SER 60 Ca 0.05 -1.53 -0.12 0.00 0.48 0.00 0.00 55.95 54.84 1rjr s SER 60 Cb -0.14 0.27 0.06 0.00 0.10 0.00 0.00 66.02 66.30 1rjr s SER 60 CO -0.04 -0.80 1.11 -2.84 0.98 0.00 0.00 173.24 171.65 1rjr s PRO 61 N -3.82 2.20 0.62 4.02 0.02 -1.26 -0.66 135.00 136.11 1rjr s PRO 61 Ca 0.31 1.30 -0.18 0.00 0.02 0.00 0.00 61.00 62.45 1rjr s PRO 61 Cb 0.05 -1.88 -0.02 0.00 0.02 0.00 0.00 34.50 32.67 1rjr s PRO 61 CO 0.15 -1.71 1.19 0.20 -0.33 0.00 0.00 177.00 176.51 1rjr s GLY 62 N -3.06 2.60 0.26 0.52 0.00 0.05 -4.13 107.32 103.57 1rjr s GLY 62 Ca 0.64 0.93 -0.29 0.00 0.00 0.00 0.00 44.72 45.99 1rjr s GLY 62 CO 0.53 1.31 0.98 -1.36 0.00 0.00 0.00 173.10 174.56 1rjr s PHE 63 N -1.76 3.83 -0.31 1.90 0.08 -0.22 -4.70 117.98 116.82 1rjr s PHE 63 Ca 0.75 1.84 -0.07 0.00 0.12 0.00 0.00 56.93 59.58 1rjr s PHE 63 Cb -0.29 -3.06 0.02 0.00 -0.57 0.00 0.00 43.02 39.12 1rjr s PHE 63 CO 0.36 0.14 0.09 0.42 -0.10 0.00 0.00 175.22 176.13 1rjr s ILE 64 N -1.23 3.92 -0.69 0.64 1.01 -0.28 0.03 121.20 124.60 1rjr s ILE 64 Ca 0.43 -0.81 -0.27 0.00 0.00 0.00 0.00 60.65 60.00 1rjr s ILE 64 Cb -0.27 -3.07 0.03 0.00 0.01 0.00 0.00 42.46 39.16 1rjr s ILE 64 CO 0.33 0.01 1.22 -0.62 0.00 0.00 0.00 174.94 175.89 1rjr s ASP 65 N 1.47 6.24 0.06 3.58 -1.08 0.38 -4.82 116.67 122.51 1rjr s ASP 65 Ca 0.01 -0.33 0.13 0.00 -0.52 0.00 0.00 52.55 51.84 1rjr s ASP 65 Cb -0.18 -2.54 0.56 0.00 -1.46 0.00 0.00 42.92 39.30 1rjr s ASP 65 CO 0.02 -1.70 1.40 -1.54 0.52 0.00 0.00 175.17 173.88 1rjr n SER 66 N 8.96 0.14 -3.41 -0.34 3.41 -1.18 -1.80 113.62 119.39 1rjr n SER 66 Ca 0.04 0.54 -0.23 0.00 -0.26 0.00 0.00 58.87 58.97 1rjr n SER 66 Cb 0.49 -0.57 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1rjr n SER 66 CO 0.00 0.00 0.00 -2.28 -0.16 0.00 0.00 175.04 172.60 1rjr s HIS 67 N -3.09 0.16 0.37 7.33 5.65 -1.26 -4.74 115.29 119.71 1rjr s HIS 67 Ca 0.04 -1.14 0.06 0.00 0.25 0.00 0.00 55.06 54.27 1rjr s HIS 67 Cb 0.07 -0.65 -0.07 0.00 -1.18 0.00 0.00 32.58 30.75 1rjr s HIS 67 CO 0.21 -0.90 0.02 0.95 -0.65 0.00 0.00 174.74 174.37 1rjr s THR 68 N 1.36 1.68 -0.35 0.89 -4.23 -0.72 -0.32 115.64 113.95 1rjr s THR 68 Ca 0.17 -2.02 0.13 0.00 -1.18 0.00 0.00 61.69 58.79 1rjr s THR 68 Cb -0.19 -2.87 0.45 0.00 1.34 0.00 0.00 72.50 71.23 1rjr s THR 68 CO -0.05 -0.03 1.06 1.41 -0.54 0.00 0.00 174.62 176.48 1rjr n HIS 69 N -0.83 2.15 0.81 3.99 8.25 -1.25 -4.08 115.22 124.26 1rjr n HIS 69 Ca -0.04 -2.71 0.09 0.00 -0.26 0.00 0.00 57.72 54.80 1rjr n HIS 69 Cb 0.66 -0.25 0.26 0.00 1.12 0.00 0.00 29.99 31.78 1rjr n HIS 69 CO 0.00 0.00 0.00 -0.25 0.64 0.00 0.00 176.34 176.73 1rjr n ASP 70 N -0.38 2.19 -0.38 0.41 8.00 -1.26 -4.63 116.55 120.50 1rjr n ASP 70 Ca 0.24 -1.90 -0.06 0.00 0.71 0.00 0.00 54.79 53.78 1rjr n ASP 70 Cb 0.79 -0.22 -0.03 0.00 -0.02 0.00 0.00 41.12 41.63 1rjr n ASP 70 CO 0.00 0.00 0.00 0.47 -0.39 0.00 0.00 177.20 177.28 1rjr n ASP 71 N 0.68 -0.82 0.05 -2.24 9.92 -1.26 -1.26 116.55 121.62 1rjr n ASP 71 Ca 0.15 1.65 -0.14 0.00 -0.53 0.00 0.00 54.79 55.93 1rjr n ASP 71 Cb 0.37 -0.29 -0.14 0.00 -0.64 0.00 0.00 41.12 40.43 1rjr n ASP 71 CO 0.00 0.00 0.00 -1.13 0.13 0.00 0.00 177.20 176.20 1rjr h ASN 72 N 0.00 0.28 -0.72 -2.24 -1.24 -1.82 -3.35 115.58 106.50 1rjr h ASN 72 Ca 0.23 -0.40 0.06 0.00 0.71 0.00 0.00 56.30 56.90 1rjr h ASN 72 Cb 0.46 -0.09 -0.04 0.00 0.73 0.00 0.00 38.32 39.38 1rjr h ASN 72 CO -0.90 1.33 0.47 0.22 -1.29 0.00 0.00 177.43 177.26 1rjr h TYR 73 N 0.05 0.78 0.00 0.67 3.20 -1.67 -0.44 116.97 119.56 1rjr h TYR 73 Ca -0.21 0.02 -0.00 0.00 3.14 0.00 0.00 58.73 61.67 1rjr h TYR 73 Cb 1.98 -0.26 -0.00 0.00 1.54 0.00 0.00 36.73 39.99 1rjr h TYR 73 CO 0.05 0.42 -0.01 -0.07 -1.64 0.00 0.00 178.16 176.91 1rjr h LEU 74 N 0.78 0.00 0.14 2.82 3.38 -1.31 0.20 115.31 121.32 1rjr h LEU 74 Ca 0.31 0.00 -0.31 0.00 0.09 0.00 0.00 57.88 57.97 1rjr h LEU 74 Cb 0.21 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.96 1rjr h LEU 74 CO -0.10 0.01 -1.57 -0.07 0.09 0.00 0.00 178.44 176.80 1rjr h LEU 75 N 0.00 0.45 0.00 1.67 3.38 -1.30 -3.35 115.31 116.16 1rjr h LEU 75 Ca -0.00 -0.88 -0.16 0.00 0.09 0.00 0.00 57.88 56.92 1rjr h LEU 75 Cb 0.01 -0.15 -0.02 0.00 0.09 0.00 0.00 40.66 40.59 1rjr h LEU 75 CO 0.00 1.69 -0.89 0.11 0.09 0.00 0.00 178.44 179.44 1rjr h LYS 76 N -0.16 0.00 -2.27 1.13 1.79 -1.02 -3.39 116.57 112.65 1rjr h LYS 76 Ca -0.33 0.00 -0.58 0.00 -2.18 0.00 0.00 60.65 57.56 1rjr h LYS 76 Cb 1.88 0.00 -0.39 0.00 -1.58 0.00 0.00 32.23 32.14 1rjr h LYS 76 CO 0.09 0.64 -0.97 0.72 -1.08 0.00 0.00 179.45 178.85 1rjr n HIS 77 N -3.20 -0.10 0.33 -1.35 8.25 0.67 -4.99 115.22 114.83 1rjr n HIS 77 Ca -0.02 -3.54 0.18 0.00 -0.26 0.00 0.00 57.72 54.09 1rjr n HIS 77 Cb 0.84 -0.09 0.97 0.00 1.12 0.00 0.00 29.99 32.83 1rjr n HIS 77 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rjr h ARG 78 N 4.89 0.00 0.00 -0.41 3.08 -1.72 -1.27 114.38 118.95 1rjr h ARG 78 Ca 0.18 0.00 -0.08 0.00 0.07 0.00 0.00 59.98 60.15 1rjr h ARG 78 Cb 0.87 0.00 -0.01 0.00 0.08 0.00 0.00 29.97 30.91 1rjr h ARG 78 CO 0.46 0.00 -0.39 0.38 -1.07 0.00 0.00 179.97 179.36 1rjr h ASP 79 N 0.00 0.00 -5.97 7.04 3.04 -1.91 0.17 116.42 118.79 1rjr h ASP 79 Ca 0.00 0.00 -0.45 0.00 -3.24 0.00 0.00 57.03 53.34 1rjr h ASP 79 Cb 0.42 0.00 -0.08 0.00 -1.04 0.00 0.00 39.33 38.63 1rjr h ASP 79 CO -0.00 0.39 -0.69 0.23 -2.04 0.00 0.00 179.24 177.12 1rjr n MET 80 N -4.00 -4.37 -0.31 4.15 2.81 -0.48 -4.61 117.12 110.31 1rjr n MET 80 Ca -0.02 0.54 0.11 0.00 -1.81 0.00 0.00 57.70 56.52 1rjr n MET 80 Cb 0.43 -5.34 0.28 0.00 -0.71 0.00 0.00 33.22 27.88 1rjr n MET 80 CO 0.00 0.00 0.00 1.15 1.51 0.00 0.00 175.97 178.63 1rjr h THR 81 N -1.57 0.62 -0.68 2.03 2.02 -1.90 -0.54 112.91 112.89 1rjr h THR 81 Ca -0.53 -0.20 0.13 0.00 0.77 0.00 0.00 66.41 66.59 1rjr h THR 81 Cb 1.35 0.00 -0.04 0.00 -1.74 0.00 0.00 68.15 67.72 1rjr h THR 81 CO 0.64 0.10 0.46 -0.65 0.37 0.00 0.00 175.52 176.44 1rjr h PRO 82 N 0.57 0.35 0.00 6.66 0.11 -1.89 -2.31 132.00 135.50 1rjr h PRO 82 Ca 0.53 -0.02 -0.33 0.00 0.11 0.00 0.00 66.00 66.29 1rjr h PRO 82 Cb 0.89 -0.08 -0.05 0.00 0.11 0.00 0.00 31.00 31.87 1rjr h PRO 82 CO -0.43 0.23 -1.85 1.63 -0.21 0.00 0.00 178.00 177.37 1rjr n LYS 83 N -4.46 0.57 0.27 1.05 4.76 -0.34 -4.33 118.16 115.68 1rjr n LYS 83 Ca 0.12 0.42 0.12 0.00 -2.87 0.00 0.00 58.31 56.10 1rjr n LYS 83 Cb 0.49 -1.62 0.75 0.00 -1.84 0.00 0.00 35.03 32.81 1rjr n LYS 83 CO 0.00 0.00 0.00 -0.84 -1.37 0.00 0.00 177.40 175.19 1rjr h ILE 84 N -1.00 0.71 0.00 -0.18 3.07 -1.24 0.42 117.51 119.29 1rjr h ILE 84 Ca -0.50 -0.28 0.00 0.00 1.55 0.00 0.00 64.86 65.63 1rjr h ILE 84 Cb 1.43 1.17 0.00 0.00 -0.27 0.00 0.00 36.82 39.15 1rjr h ILE 84 CO -0.31 0.07 0.00 -1.54 -1.05 0.00 0.00 178.15 175.32 1rjr n SER 85 N -3.96 0.01 -0.65 2.16 3.41 -0.87 -1.92 113.62 111.81 1rjr n SER 85 Ca -0.03 0.50 0.10 0.00 -0.26 0.00 0.00 58.87 59.19 1rjr n SER 85 Cb 0.16 -0.50 0.05 0.00 -0.26 0.00 0.00 64.21 63.65 1rjr n SER 85 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjr n GLN 86 N -1.51 1.67 -0.13 4.33 6.02 0.10 -4.37 117.38 123.48 1rjr n GLN 86 Ca 0.04 -1.36 0.00 0.00 -0.01 0.00 0.00 57.00 55.67 1rjr n GLN 86 Cb 0.21 -1.38 0.00 0.00 1.02 0.00 0.00 30.24 30.09 1rjr n GLN 86 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1rjr n GLY 87 N 1.20 0.73 3.70 1.08 0.00 -0.81 -4.57 105.19 106.52 1rjr n GLY 87 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.70 1rjr n GLY 87 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1rjr s VAL 88 N -2.15 4.58 -0.21 1.61 1.01 -0.96 -1.05 120.40 123.24 1rjr s VAL 88 Ca 0.00 1.86 0.07 0.00 0.00 0.00 0.00 61.98 63.91 1rjr s VAL 88 Cb 0.00 -4.19 -0.09 0.00 0.00 0.00 0.00 36.38 32.10 1rjr s VAL 88 CO 0.00 0.10 0.25 0.35 0.00 0.00 0.00 175.10 175.80 1rjr n THR 89 N 4.10 0.00 -3.83 3.92 -2.24 0.10 -4.02 114.28 112.33 1rjr n THR 89 Ca 0.08 -0.27 -0.12 0.00 -2.27 0.00 0.00 64.05 61.47 1rjr n THR 89 Cb 0.49 0.73 -0.13 0.00 -2.10 0.00 0.00 70.33 69.32 1rjr n THR 89 CO 0.00 0.00 0.00 -0.89 -0.57 0.00 0.00 175.07 173.61 1rjr s THR 90 N -2.01 -0.00 -0.02 4.28 2.01 -1.11 -0.95 115.64 117.85 1rjr s THR 90 Ca 0.01 0.01 0.07 0.00 0.31 0.00 0.00 61.69 62.09 1rjr s THR 90 Cb 0.05 -0.17 -0.02 0.00 0.01 0.00 0.00 72.50 72.37 1rjr s THR 90 CO 0.30 0.01 -0.22 0.68 -0.69 0.00 0.00 174.62 174.69 1rjr s VAL 91 N 0.14 1.76 -0.29 3.82 -7.23 -0.18 -0.47 120.40 117.94 1rjr s VAL 91 Ca -0.01 -0.95 -0.11 0.00 -1.81 0.00 0.00 61.98 59.10 1rjr s VAL 91 Cb -0.02 -1.46 -0.04 0.00 0.56 0.00 0.00 36.38 35.43 1rjr s VAL 91 CO -0.00 0.50 0.18 -0.69 -0.31 0.00 0.00 175.10 174.77 1rjr s VAL 92 N -0.53 5.09 0.52 1.32 1.01 -0.75 -1.13 120.40 125.94 1rjr s VAL 92 Ca 0.09 -0.00 0.06 0.00 0.00 0.00 0.00 61.98 62.13 1rjr s VAL 92 Cb -0.09 -3.47 0.03 0.00 0.00 0.00 0.00 36.38 32.85 1rjr s VAL 92 CO -0.01 0.20 0.40 0.42 0.00 0.00 0.00 175.10 176.12 1rjr s THR 93 N 1.72 1.85 -0.76 3.92 -4.23 -0.58 -1.76 115.64 115.79 1rjr s THR 93 Ca 0.07 -1.46 -0.01 0.00 -1.18 0.00 0.00 61.69 59.11 1rjr s THR 93 Cb -0.16 -2.31 0.00 0.00 1.34 0.00 0.00 72.50 71.37 1rjr s THR 93 CO 0.09 0.00 0.64 0.61 -0.54 0.00 0.00 174.62 175.42 1rjr n GLY 94 N -1.72 -0.05 3.96 3.99 0.00 -1.26 -2.33 105.19 107.78 1rjr n GLY 94 Ca -0.00 -0.11 -0.22 0.00 0.00 0.00 0.00 46.02 45.68 1rjr n GLY 94 CO 0.00 0.00 0.00 -1.31 0.00 0.00 0.00 173.32 172.01 1rjr s ASN 95 N -3.79 5.76 -1.23 1.61 -0.87 -1.20 -4.44 114.94 110.79 1rjr s ASN 95 Ca 0.04 0.19 -0.00 0.00 -1.57 0.00 0.00 52.86 51.51 1rjr s ASN 95 Cb -0.02 -1.39 0.00 0.00 -0.02 0.00 0.00 41.25 39.82 1rjr s ASN 95 CO 0.46 -0.74 0.03 0.00 -2.57 0.00 0.00 177.10 174.28 1rjr n GLY 97 N -0.88 0.66 3.18 0.00 0.00 -1.17 -3.10 105.19 103.88 1rjr n GLY 97 Ca -0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.48 1rjr n GLY 97 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjr s ILE 98 N -2.71 3.65 0.21 -0.61 1.01 0.10 -1.08 121.20 121.77 1rjr s ILE 98 Ca 0.00 -1.75 0.10 0.00 0.00 0.00 0.00 60.65 59.01 1rjr s ILE 98 Cb 0.00 -3.36 -0.04 0.00 0.01 0.00 0.00 42.46 39.06 1rjr s ILE 98 CO 0.00 -0.58 -0.20 -0.94 0.00 0.00 0.00 174.94 173.22 1rjr s SER 99 N 1.96 3.14 0.19 3.58 1.04 -1.26 -3.24 113.70 119.11 1rjr s SER 99 Ca 0.05 -0.92 -0.03 0.00 0.48 0.00 0.00 55.95 55.53 1rjr s SER 99 Cb -0.23 -0.22 0.10 0.00 0.10 0.00 0.00 66.02 65.77 1rjr s SER 99 CO -0.02 0.02 1.49 0.25 0.98 0.00 0.00 173.24 175.97 1rjr h LEU 100 N 2.93 0.59 -9.04 2.42 5.85 -1.94 -3.45 115.31 112.68 1rjr h LEU 100 Ca -0.43 -0.33 -0.66 0.00 0.84 0.00 0.00 57.88 57.31 1rjr h LEU 100 Cb 1.22 -0.17 -0.19 0.00 0.37 0.00 0.00 40.66 41.89 1rjr h LEU 100 CO 0.53 1.05 -0.82 0.00 -0.34 0.00 0.00 178.44 178.86 1rjr s ALA 101 N -3.92 2.54 -0.20 1.25 0.00 -1.26 -4.17 121.76 115.99 1rjr s ALA 101 Ca -0.07 -1.64 -0.14 0.00 0.00 0.00 0.00 51.96 50.11 1rjr s ALA 101 Cb 0.11 -0.33 -0.04 0.00 0.00 0.00 0.00 23.12 22.86 1rjr s ALA 101 CO 0.84 0.43 0.29 -1.25 0.00 0.00 0.00 175.76 176.07 1rjr s PRO 102 N -2.68 4.17 -0.30 0.00 0.04 -1.26 -4.51 135.00 130.46 1rjr s PRO 102 Ca 0.21 0.02 -0.18 0.00 0.04 0.00 0.00 61.00 61.09 1rjr s PRO 102 Cb -0.08 -3.50 0.21 0.00 0.04 0.00 0.00 34.50 31.16 1rjr s PRO 102 CO 0.10 0.07 1.29 -1.17 0.04 0.00 0.00 177.00 177.33 1rjr s LEU 103 N 0.99 -0.04 -0.29 -3.56 2.96 0.09 -4.66 118.68 114.16 1rjr s LEU 103 Ca 0.14 0.06 -0.05 0.00 -0.22 0.00 0.00 54.13 54.07 1rjr s LEU 103 Cb -0.14 1.05 0.02 0.00 0.50 0.00 0.00 46.19 47.63 1rjr s LEU 103 CO 0.05 -0.01 0.03 0.00 -1.32 0.00 0.00 176.35 175.11 1rjr s ALA 104 N 1.54 2.93 -0.28 5.97 0.00 -1.26 -3.66 121.76 127.00 1rjr s ALA 104 Ca -0.04 -1.51 -0.20 0.00 0.00 0.00 0.00 51.96 50.21 1rjr s ALA 104 Cb -0.01 -2.01 0.08 0.00 0.00 0.00 0.00 23.12 21.18 1rjr s ALA 104 CO -0.13 -0.96 0.71 -1.58 0.00 0.00 0.00 175.76 173.80 1rjr s HIS 105 N 1.42 -0.94 -0.81 0.00 5.04 -0.77 -5.00 115.29 114.24 1rjr s HIS 105 Ca 0.01 2.03 0.26 0.00 -1.54 0.00 0.00 55.06 55.81 1rjr s HIS 105 Cb -0.17 0.48 0.63 0.00 0.04 0.00 0.00 32.58 33.56 1rjr s HIS 105 CO 0.00 -0.46 1.54 0.00 -2.34 0.00 0.00 174.74 173.48 1rjr n ALA 106 N 3.61 2.83 -2.95 1.58 0.00 -1.26 -4.34 120.51 119.98 1rjr n ALA 106 Ca -0.17 -0.20 -0.15 0.00 0.00 0.00 0.00 53.44 52.92 1rjr n ALA 106 Cb 0.57 -1.27 0.00 0.00 0.00 0.00 0.00 19.45 18.75 1rjr n ALA 106 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1rjr n ASN 107 N -1.89 -1.31 -4.75 0.00 3.02 -1.26 -4.58 115.26 104.48 1rjr n ASN 107 Ca 0.05 -3.12 -0.39 0.00 -0.03 0.00 0.00 54.58 51.10 1rjr n ASN 107 Cb 0.40 0.70 0.03 0.00 -0.61 0.00 0.00 39.78 40.30 1rjr n ASN 107 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1rjr s PRO 108 N -0.39 3.30 0.39 3.52 0.04 -1.26 -4.96 135.00 135.64 1rjr s PRO 108 Ca 0.33 2.27 -0.26 0.00 0.04 0.00 0.00 61.00 63.38 1rjr s PRO 108 Cb 0.23 -2.37 -0.09 0.00 0.04 0.00 0.00 34.50 32.31 1rjr s PRO 108 CO -0.15 -1.07 1.25 -1.25 0.04 0.00 0.00 177.00 175.81 1rjr s PRO 109 N -2.78 4.08 0.54 0.56 0.04 -1.26 -4.25 135.00 131.93 1rjr s PRO 109 Ca 0.68 2.04 -0.22 0.00 0.04 0.00 0.00 61.00 63.55 1rjr s PRO 109 Cb -0.41 -2.79 -0.05 0.00 0.04 0.00 0.00 34.50 31.29 1rjr s PRO 109 CO 0.50 -0.36 1.35 0.00 0.04 0.00 0.00 177.00 178.52 1rjr n ALA 110 N 0.25 1.55 1.06 8.56 0.00 -1.26 -1.17 120.51 129.49 1rjr n ALA 110 Ca 0.03 0.13 0.02 0.00 0.00 0.00 0.00 53.44 53.63 1rjr n ALA 110 Cb 0.44 -2.35 0.09 0.00 0.00 0.00 0.00 19.45 17.63 1rjr n ALA 110 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rjr n PRO 111 N -0.98 1.65 0.22 0.00 -0.04 -1.26 -4.38 135.00 130.21 1rjr n PRO 111 Ca 0.10 -0.72 0.11 0.00 -0.04 0.00 0.00 63.50 62.95 1rjr n PRO 111 Cb 0.44 -1.36 0.68 0.00 -0.04 0.00 0.00 33.50 33.23 1rjr n PRO 111 CO 0.00 0.00 0.00 -0.07 -0.04 0.00 0.00 175.50 175.39 1rjr h LEU 112 N 1.06 0.00 -0.67 1.53 4.07 -1.44 -0.56 115.31 119.29 1rjr h LEU 112 Ca 0.00 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.96 1rjr h LEU 112 Cb 0.49 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.23 1rjr h LEU 112 CO 0.05 0.00 0.00 -0.90 -1.08 0.00 0.00 178.44 176.51 1rjr n ASP 113 N -4.42 0.34 0.21 -0.43 5.75 -1.26 -2.04 116.55 114.70 1rjr n ASP 113 Ca -0.01 0.63 0.15 0.00 -0.01 0.00 0.00 54.79 55.55 1rjr n ASP 113 Cb 0.18 -0.68 0.63 0.00 -1.03 0.00 0.00 41.12 40.22 1rjr n ASP 113 CO 0.00 0.00 0.00 -0.07 -0.11 0.00 0.00 177.20 177.02 1rjr h LEU 114 N 0.00 0.00 -0.24 -2.12 3.38 -1.47 -2.70 115.31 112.16 1rjr h LEU 114 Ca 0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 1rjr h LEU 114 Cb 0.10 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.85 1rjr h LEU 114 CO 0.00 0.00 -0.82 0.18 0.09 0.00 0.00 178.44 177.89 1rjr n LEU 115 N -2.64 1.19 -4.79 1.67 4.77 -0.87 -4.56 117.00 111.77 1rjr n LEU 115 Ca 0.01 -0.56 -0.39 0.00 -0.03 0.00 0.00 56.01 55.04 1rjr n LEU 115 Cb 0.23 0.00 -0.06 0.00 -2.33 0.00 0.00 43.42 41.26 1rjr n LEU 115 CO 0.22 0.27 0.27 -0.62 -1.33 0.00 0.00 177.39 176.19 1rjr s ASP 116 N -2.76 7.00 0.00 -1.43 -1.08 -1.02 -4.64 116.67 112.75 1rjr s ASP 116 Ca 0.10 1.19 0.05 0.00 -0.52 0.00 0.00 52.55 53.37 1rjr s ASP 116 Cb 0.16 -2.35 0.12 0.00 -1.46 0.00 0.00 42.92 39.38 1rjr s ASP 116 CO 0.75 0.20 1.05 -0.62 0.52 0.00 0.00 175.17 177.06 1rjr n GLU 117 N 2.20 2.47 0.00 4.34 1.02 -1.26 -5.00 120.64 124.42 1rjr n GLU 117 Ca -0.09 -1.60 0.00 0.00 -0.02 0.00 0.00 57.16 55.45 1rjr n GLU 117 Cb 0.51 -1.11 0.00 0.00 -0.02 0.00 0.00 31.44 30.82 1rjr n GLU 117 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rjr n GLY 118 N -0.01 1.83 2.44 0.62 0.00 -1.26 -4.87 105.19 103.94 1rjr n GLY 118 Ca 0.05 -0.79 -0.15 0.00 0.00 0.00 0.00 46.02 45.13 1rjr n GLY 118 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1rjr n GLY 119 N 0.45 1.51 0.20 -0.02 0.00 -1.26 -4.90 105.19 101.18 1rjr n GLY 119 Ca 0.00 -0.31 -0.00 0.00 0.00 0.00 0.00 46.02 45.71 1rjr n GLY 119 CO 0.00 0.00 0.00 1.76 0.00 0.00 0.00 173.32 175.08 1rjr h SER 120 N 0.00 0.20 -0.82 1.61 0.02 -1.89 -3.38 113.55 109.29 1rjr h SER 120 Ca -0.31 -0.07 -0.48 0.00 -0.84 0.00 0.00 61.79 60.10 1rjr h SER 120 Cb 0.99 -0.05 -0.07 0.00 0.14 0.00 0.00 62.40 63.41 1rjr h SER 120 CO 0.45 0.53 1.34 -0.36 -1.14 0.00 0.00 176.83 177.65 1rjr s PHE 121 N -4.29 2.26 0.00 3.45 0.40 -1.26 -4.50 117.98 114.04 1rjr s PHE 121 Ca -0.04 -0.32 0.00 0.00 -0.60 0.00 0.00 56.93 55.96 1rjr s PHE 121 Cb 0.14 -4.39 0.00 0.00 0.51 0.00 0.00 43.02 39.28 1rjr s PHE 121 CO 0.75 -1.71 0.39 2.89 0.70 0.00 0.00 175.22 178.24 1rjr n ARG 122 N 8.66 -0.54 -3.11 0.44 1.85 -1.24 -1.84 116.66 120.88 1rjr n ARG 122 Ca 0.41 -0.41 -0.43 0.00 -1.00 0.00 0.00 57.85 56.41 1rjr n ARG 122 Cb 0.48 -0.86 -0.06 0.00 -1.05 0.00 0.00 32.46 30.97 1rjr n ARG 122 CO 0.00 0.00 0.00 -0.06 -0.01 0.00 0.00 177.63 177.56 1rjr s PHE 123 N -0.04 3.02 0.19 2.89 0.08 -1.24 -4.83 117.98 118.04 1rjr s PHE 123 Ca 0.00 -0.40 -0.08 0.00 0.12 0.00 0.00 56.93 56.57 1rjr s PHE 123 Cb 0.00 -3.58 0.10 0.00 -0.57 0.00 0.00 43.02 38.97 1rjr s PHE 123 CO 0.00 -1.05 1.65 0.00 -0.10 0.00 0.00 175.22 175.72 1rjr h ALA 124 N 9.02 0.85 -3.92 5.36 0.00 -1.94 0.28 119.26 128.91 1rjr h ALA 124 Ca -0.27 -0.32 -0.68 0.00 0.00 0.00 0.00 54.91 53.64 1rjr h ALA 124 Cb 1.09 -0.22 -0.21 0.00 0.00 0.00 0.00 17.79 18.45 1rjr h ALA 124 CO 0.97 0.66 -0.80 1.03 0.00 0.00 0.00 179.25 181.11 1rjr s ARG 125 N -4.99 2.04 0.32 0.00 0.52 -1.26 -4.18 118.95 111.40 1rjr s ARG 125 Ca -0.11 -1.01 0.02 0.00 -0.52 0.00 0.00 55.73 54.11 1rjr s ARG 125 Cb 0.14 -2.18 0.59 0.00 0.52 0.00 0.00 34.95 34.01 1rjr s ARG 125 CO 0.85 0.53 1.95 0.35 0.02 0.00 0.00 175.30 179.00 1rjr h PHE 126 N 4.40 0.94 -0.02 -0.53 3.57 -1.90 -1.15 116.94 122.25 1rjr h PHE 126 Ca -0.48 0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.02 1rjr h PHE 126 Cb 1.16 -0.31 -0.00 0.00 2.79 0.00 0.00 35.95 39.58 1rjr h PHE 126 CO 0.55 0.52 -0.09 0.66 -2.23 0.00 0.00 178.31 177.71 1rjr h SER 127 N 0.95 0.02 -0.43 0.41 4.64 -1.93 -1.10 113.55 116.10 1rjr h SER 127 Ca 0.33 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.56 1rjr h SER 127 Cb 0.12 -0.01 -0.02 0.00 -0.31 0.00 0.00 62.40 62.18 1rjr h SER 127 CO -0.11 0.12 -0.04 0.44 -0.87 0.00 0.00 176.83 176.37 1rjr h ASP 128 N 0.02 0.83 0.29 4.97 3.32 -1.61 -1.30 116.42 122.95 1rjr h ASP 128 Ca 0.00 -0.23 -0.01 0.00 0.02 0.00 0.00 57.03 56.81 1rjr h ASP 128 Cb 0.18 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 39.51 1rjr h ASP 128 CO 0.01 0.92 -0.14 0.22 -1.72 0.00 0.00 179.24 178.53 1rjr h TYR 129 N 0.79 -0.37 -0.73 4.55 3.20 -1.21 -1.53 116.97 121.67 1rjr h TYR 129 Ca 0.14 -0.01 0.09 0.00 3.14 0.00 0.00 58.73 62.09 1rjr h TYR 129 Cb 0.53 0.12 -0.07 0.00 1.54 0.00 0.00 36.73 38.85 1rjr h TYR 129 CO 0.03 -0.09 0.39 -0.07 -1.64 0.00 0.00 178.16 176.78 1rjr h LEU 130 N -0.62 0.53 -1.02 2.82 3.38 -1.36 -0.89 115.31 118.16 1rjr h LEU 130 Ca -0.04 0.05 0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rjr h LEU 130 Cb 0.44 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.10 1rjr h LEU 130 CO 0.07 0.31 0.66 -0.33 0.09 0.00 0.00 178.44 179.24 1rjr h GLU 131 N 0.67 1.31 -0.45 1.13 5.08 -1.13 -1.46 114.58 119.73 1rjr h GLU 131 Ca 0.35 -0.08 -0.05 0.00 -1.00 0.00 0.00 59.36 58.58 1rjr h GLU 131 Cb 0.33 -0.30 -0.02 0.00 0.50 0.00 0.00 28.75 29.26 1rjr h GLU 131 CO -0.25 0.87 0.05 0.00 -1.00 0.00 0.00 179.01 178.69 1rjr h ALA 132 N 1.37 1.25 -0.36 3.43 0.00 -0.12 -1.70 119.26 123.14 1rjr h ALA 132 Ca 0.36 -0.21 -0.07 0.00 0.00 0.00 0.00 54.91 54.99 1rjr h ALA 132 Cb -0.15 -0.19 -0.01 0.00 0.00 0.00 0.00 17.79 17.44 1rjr h ALA 132 CO -0.08 0.51 -0.03 -0.07 0.00 0.00 0.00 179.25 179.58 1rjr h LEU 133 N 0.67 0.65 -0.71 0.00 3.38 -0.59 -2.87 115.31 115.84 1rjr h LEU 133 Ca 0.14 -0.33 -0.07 0.00 0.09 0.00 0.00 57.88 57.71 1rjr h LEU 133 Cb 0.34 -0.18 -0.03 0.00 0.09 0.00 0.00 40.66 40.88 1rjr h LEU 133 CO 0.01 0.82 0.16 0.03 0.09 0.00 0.00 178.44 179.56 1rjr h ARG 134 N 0.47 1.14 0.00 1.13 3.08 -1.06 -1.62 114.38 117.52 1rjr h ARG 134 Ca 0.10 -0.28 -0.04 0.00 0.07 0.00 0.00 59.98 59.83 1rjr h ARG 134 Cb 0.51 -0.15 -0.01 0.00 0.08 0.00 0.00 29.97 30.40 1rjr h ARG 134 CO 0.02 1.01 -0.18 0.00 -1.07 0.00 0.00 179.97 179.75 1rjr h ALA 135 N 1.08 1.44 -1.72 0.04 0.00 -1.27 -3.30 119.26 115.53 1rjr h ALA 135 Ca 0.22 -0.17 -0.51 0.00 0.00 0.00 0.00 54.91 54.46 1rjr h ALA 135 Cb 0.39 -0.03 -0.36 0.00 0.00 0.00 0.00 17.79 17.79 1rjr h ALA 135 CO 0.00 0.23 -1.03 0.00 0.00 0.00 0.00 179.25 178.45 1rjr n ALA 136 N -2.39 1.87 -1.61 0.00 0.00 -1.09 -5.11 120.51 112.19 1rjr n ALA 136 Ca -0.02 -3.12 -0.41 0.00 0.00 0.00 0.00 53.44 49.88 1rjr n ALA 136 Cb 0.27 -0.89 0.01 0.00 0.00 0.00 0.00 19.45 18.84 1rjr n ALA 136 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 177.50 177.15 1rjr n PRO 137 N 1.34 1.32 -2.36 0.00 -0.04 -0.63 -4.79 135.00 129.83 1rjr n PRO 137 Ca 0.20 0.47 -0.25 0.00 -0.04 0.00 0.00 63.50 63.88 1rjr n PRO 137 Cb 0.55 -2.04 0.10 0.00 -0.04 0.00 0.00 33.50 32.07 1rjr n PRO 137 CO 0.00 0.00 0.00 -1.25 -0.04 0.00 0.00 175.50 174.21 1rjr s PRO 138 N -2.04 1.82 0.54 0.54 0.04 -1.26 -4.75 135.00 129.88 1rjr s PRO 138 Ca 0.64 -0.67 0.33 0.00 0.04 0.00 0.00 61.00 61.34 1rjr s PRO 138 Cb -0.55 -2.23 1.29 0.00 0.04 0.00 0.00 34.50 33.05 1rjr s PRO 138 CO 0.56 -1.42 1.96 0.00 0.04 0.00 0.00 177.00 178.14 1rjr h ALA 139 N -0.64 1.00 -1.80 8.56 0.00 -0.88 -0.39 119.26 125.11 1rjr h ALA 139 Ca -0.41 -0.01 -0.58 0.00 0.00 0.00 0.00 54.91 53.91 1rjr h ALA 139 Cb 1.28 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 18.97 1rjr h ALA 139 CO 0.48 0.01 -0.58 0.14 0.00 0.00 0.00 179.25 179.31 1rjr s VAL 140 N -3.64 2.52 0.50 0.00 -7.23 -1.26 -3.58 120.40 107.70 1rjr s VAL 140 Ca 0.01 -1.87 -0.17 0.00 -1.81 0.00 0.00 61.98 58.14 1rjr s VAL 140 Cb 0.09 -2.89 -0.08 0.00 0.56 0.00 0.00 36.38 34.06 1rjr s VAL 140 CO 0.55 -0.12 0.97 0.20 -0.31 0.00 0.00 175.10 176.39 1rjr s ASN 141 N -3.78 6.66 -0.07 4.85 0.01 -0.12 -3.89 114.94 118.60 1rjr s ASN 141 Ca 0.37 1.57 0.02 0.00 -0.71 0.00 0.00 52.86 54.11 1rjr s ASN 141 Cb 0.02 -2.51 0.01 0.00 0.41 0.00 0.00 41.25 39.19 1rjr s ASN 141 CO 0.20 -0.55 -0.12 0.00 -1.51 0.00 0.00 177.10 175.12 1rjr s ALA 142 N -2.56 1.24 -0.36 0.60 0.00 -0.25 -1.02 121.76 119.42 1rjr s ALA 142 Ca 0.59 -0.41 0.00 0.00 0.00 0.00 0.00 51.96 52.15 1rjr s ALA 142 Cb -0.10 -0.58 0.10 0.00 0.00 0.00 0.00 23.12 22.54 1rjr s ALA 142 CO 0.29 0.09 0.11 0.00 0.00 0.00 0.00 175.76 176.24 1rjr s ALA 143 N 0.72 2.99 -0.11 0.00 0.00 -0.28 -0.20 121.76 124.87 1rjr s ALA 143 Ca -0.14 -2.42 -0.09 0.00 0.00 0.00 0.00 51.96 49.31 1rjr s ALA 143 Cb -0.16 -2.15 -0.04 0.00 0.00 0.00 0.00 23.12 20.77 1rjr s ALA 143 CO 0.03 -1.67 0.20 0.00 0.00 0.00 0.00 175.76 174.31 1rjr s MET 145 N -0.77 2.05 -0.11 0.00 -1.94 -0.98 0.21 119.30 117.76 1rjr s MET 145 Ca 0.16 -1.42 -0.06 0.00 -1.71 0.00 0.00 55.69 52.66 1rjr s MET 145 Cb -0.13 -2.07 -0.04 0.00 2.01 0.00 0.00 34.83 34.60 1rjr s MET 145 CO 0.05 0.39 0.11 0.54 -0.01 0.00 0.00 175.02 176.10 1rjr s VAL 146 N -2.06 5.22 -0.14 -6.03 0.11 -0.75 -4.28 120.40 112.47 1rjr s VAL 146 Ca 0.28 0.10 -0.11 0.00 -2.93 0.00 0.00 61.98 59.32 1rjr s VAL 146 Cb -0.07 -3.26 -0.05 0.00 -1.53 0.00 0.00 36.38 31.47 1rjr s VAL 146 CO 0.17 0.61 0.21 -0.83 -3.33 0.00 0.00 175.10 171.93 1rjr s GLY 147 N -1.01 2.17 0.30 6.54 0.00 -1.26 -1.73 107.32 112.33 1rjr s GLY 147 Ca 0.15 -0.55 -0.01 0.00 0.00 0.00 0.00 44.72 44.31 1rjr s GLY 147 CO 0.04 0.07 1.89 0.84 0.00 0.00 0.00 173.10 175.94 1rjr h HIS 148 N 5.95 0.87 -0.23 1.90 2.76 -1.07 -0.96 115.15 124.36 1rjr h HIS 148 Ca -0.46 -0.04 -0.11 0.00 -2.20 0.00 0.00 60.37 57.55 1rjr h HIS 148 Cb 1.19 -0.27 -0.01 0.00 1.55 0.00 0.00 27.41 29.86 1rjr h HIS 148 CO 0.65 0.66 -0.34 0.77 -1.30 0.00 0.00 177.93 178.37 1rjr h SER 149 N 0.86 0.50 -0.52 3.26 0.02 -1.35 0.42 113.55 116.74 1rjr h SER 149 Ca 0.21 -0.20 -0.08 0.00 -0.84 0.00 0.00 61.79 60.88 1rjr h SER 149 Cb 0.14 -0.14 -0.02 0.00 0.14 0.00 0.00 62.40 62.52 1rjr h SER 149 CO -0.02 0.81 0.02 0.74 -1.14 0.00 0.00 176.83 177.24 1rjr h THR 150 N 0.41 1.26 -0.87 -2.27 2.02 -1.08 -1.09 112.91 111.29 1rjr h THR 150 Ca 0.05 -1.06 -0.03 0.00 0.77 0.00 0.00 66.41 66.14 1rjr h THR 150 Cb 0.80 0.92 -0.04 0.00 -1.74 0.00 0.00 68.15 68.08 1rjr h THR 150 CO 0.06 0.38 0.45 -0.07 0.37 0.00 0.00 175.52 176.71 1rjr h LEU 151 N 0.78 1.12 -0.22 2.58 3.38 -0.73 -1.61 115.31 120.62 1rjr h LEU 151 Ca 0.15 -0.12 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1rjr h LEU 151 Cb 0.50 -0.29 -0.01 0.00 0.09 0.00 0.00 40.66 40.95 1rjr h LEU 151 CO 0.02 0.92 0.11 0.03 0.09 0.00 0.00 178.44 179.61 1rjr h ARG 152 N 1.24 0.32 0.00 1.13 3.08 -0.59 -1.79 114.38 117.77 1rjr h ARG 152 Ca 0.30 -0.05 -0.03 0.00 0.07 0.00 0.00 59.98 60.28 1rjr h ARG 152 Cb 0.08 -0.06 -0.00 0.00 0.08 0.00 0.00 29.97 30.07 1rjr h ARG 152 CO -0.04 0.33 -0.13 0.00 -1.07 0.00 0.00 179.97 179.06 1rjr h ALA 153 N 0.97 1.76 0.00 0.04 0.00 -0.86 0.20 119.26 121.37 1rjr h ALA 153 Ca 0.08 -0.12 -0.15 0.00 0.00 0.00 0.00 54.91 54.72 1rjr h ALA 153 Cb 0.12 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.86 1rjr h ALA 153 CO -0.01 0.16 -0.72 0.00 0.00 0.00 0.00 179.25 178.68 1rjr h ALA 154 N 1.87 0.53 0.00 0.00 0.00 -1.00 -3.40 119.26 117.26 1rjr h ALA 154 Ca -0.00 -0.66 -0.37 0.00 0.00 0.00 0.00 54.91 53.88 1rjr h ALA 154 Cb 0.23 -0.12 -0.06 0.00 0.00 0.00 0.00 17.79 17.85 1rjr h ALA 154 CO 0.02 0.90 -2.25 0.28 0.00 0.00 0.00 179.25 178.20 1rjr n VAL 155 N -3.29 1.23 -2.89 0.00 0.31 -0.70 -5.00 118.33 108.00 1rjr n VAL 155 Ca 0.01 -0.33 -0.41 0.00 -0.01 0.00 0.00 64.34 63.60 1rjr n VAL 155 Cb 0.82 -1.73 -0.04 0.00 -0.91 0.00 0.00 33.84 31.98 1rjr n VAL 155 CO 0.00 0.00 0.00 -0.04 -1.32 0.00 0.00 176.83 175.47 1rjr s MET 156 N -2.41 4.51 0.22 5.55 1.00 0.66 -4.93 119.30 123.90 1rjr s MET 156 Ca -0.31 1.15 0.07 0.00 0.00 0.00 0.00 55.69 56.60 1rjr s MET 156 Cb 0.11 -3.44 0.18 0.00 0.00 0.00 0.00 34.83 31.69 1rjr s MET 156 CO 0.41 0.05 1.51 -1.00 0.00 0.00 0.00 175.02 175.99 1rjr h PRO 157 N 6.58 0.09 -4.48 2.03 0.13 -1.91 -3.42 132.00 131.03 1rjr h PRO 157 Ca -0.41 -0.08 -0.56 0.00 -0.87 0.00 0.00 66.00 64.07 1rjr h PRO 157 Cb 1.21 0.02 -0.36 0.00 0.13 0.00 0.00 31.00 32.00 1rjr h PRO 157 CO 0.74 0.77 -0.82 0.34 -0.23 0.00 0.00 178.00 178.81 1rjr s ASP 158 N -6.86 2.40 0.03 1.44 2.15 -1.26 -5.03 116.67 109.55 1rjr s ASP 158 Ca -0.02 -0.39 0.23 0.00 0.43 0.00 0.00 52.55 52.80 1rjr s ASP 158 Cb 0.12 -1.01 0.16 0.00 -0.30 0.00 0.00 42.92 41.89 1rjr s ASP 158 CO 0.79 -0.07 1.14 0.18 -0.17 0.00 0.00 175.17 177.04 1rjr n LEU 159 N 4.75 0.64 -2.47 -1.34 4.77 -1.26 -4.52 117.00 117.57 1rjr n LEU 159 Ca -0.15 -0.07 -0.24 0.00 -0.03 0.00 0.00 56.01 55.52 1rjr n LEU 159 Cb 0.50 -0.13 -0.09 0.00 -2.33 0.00 0.00 43.42 41.37 1rjr n LEU 159 CO 0.20 0.09 1.81 0.54 -1.33 0.00 0.00 177.39 178.70 1rjr n ARG 160 N -1.77 2.57 -3.70 3.23 1.74 -1.26 -4.60 116.66 112.88 1rjr n ARG 160 Ca 0.03 -1.96 -0.01 0.00 -0.77 0.00 0.00 57.85 55.14 1rjr n ARG 160 Cb 0.39 -2.19 -0.01 0.00 -1.02 0.00 0.00 32.46 29.63 1rjr n ARG 160 CO 0.00 0.00 0.00 -0.98 -1.52 0.00 0.00 177.63 175.13 1rjr s ARG 161 N -0.39 0.82 0.54 5.56 1.70 -1.26 -4.98 118.95 120.94 1rjr s ARG 161 Ca 0.62 -0.46 -0.17 0.00 -0.47 0.00 0.00 55.73 55.26 1rjr s ARG 161 Cb 0.33 0.28 -0.06 0.00 -0.57 0.00 0.00 34.95 34.92 1rjr s ARG 161 CO -0.12 -0.38 1.02 -2.00 -1.08 0.00 0.00 175.30 172.74 1rjr s GLU 162 N -2.85 3.69 0.37 3.89 2.12 -1.23 -4.55 118.70 120.14 1rjr s GLU 162 Ca 0.13 1.10 -0.24 0.00 0.36 0.00 0.00 54.97 56.32 1rjr s GLU 162 Cb 0.01 -2.09 -0.09 0.00 0.26 0.00 0.00 34.13 32.22 1rjr s GLU 162 CO -0.00 -0.49 1.00 0.00 -0.54 0.00 0.00 175.26 175.23 1rjr s ALA 163 N -2.48 3.13 0.78 6.30 0.00 -1.26 -5.05 121.76 123.18 1rjr s ALA 163 Ca 0.62 0.61 -0.12 0.00 0.00 0.00 0.00 51.96 53.07 1rjr s ALA 163 Cb -0.13 -3.23 0.06 0.00 0.00 0.00 0.00 23.12 19.82 1rjr s ALA 163 CO 0.32 -0.04 1.16 0.95 0.00 0.00 0.00 175.76 178.14 1rjr s THR 164 N -1.69 2.40 0.24 0.00 -4.23 -1.26 -4.79 115.64 106.30 1rjr s THR 164 Ca 0.55 0.13 -0.06 0.00 -1.18 0.00 0.00 61.69 61.13 1rjr s THR 164 Cb -0.20 -3.12 0.21 0.00 1.34 0.00 0.00 72.50 70.73 1rjr s THR 164 CO 0.25 -0.17 1.86 0.00 -0.54 0.00 0.00 174.62 176.02 1rjr h ALA 165 N -0.96 1.16 -0.69 3.99 0.00 -1.99 0.51 119.26 121.29 1rjr h ALA 165 Ca -0.46 -0.02 -0.07 0.00 0.00 0.00 0.00 54.91 54.36 1rjr h ALA 165 Cb 1.31 -0.26 -0.03 0.00 0.00 0.00 0.00 17.79 18.81 1rjr h ALA 165 CO 0.65 0.33 0.16 -0.44 0.00 0.00 0.00 179.25 179.95 1rjr h ASP 166 N 1.02 1.05 -0.45 0.00 3.32 -1.99 0.03 116.42 119.39 1rjr h ASP 166 Ca 0.36 -0.24 -0.07 0.00 0.02 0.00 0.00 57.03 57.11 1rjr h ASP 166 Cb 0.10 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.36 1rjr h ASP 166 CO -0.15 1.02 0.03 -0.33 -1.72 0.00 0.00 179.24 178.08 1rjr h GLU 167 N 1.04 0.78 -0.87 3.56 5.08 -1.76 -1.09 114.58 121.31 1rjr h GLU 167 Ca 0.22 -0.24 0.03 0.00 -1.00 0.00 0.00 59.36 58.37 1rjr h GLU 167 Cb 0.38 -0.08 -0.05 0.00 0.50 0.00 0.00 28.75 29.50 1rjr h GLU 167 CO 0.00 0.83 0.56 0.82 -1.00 0.00 0.00 179.01 180.23 1rjr h ILE 168 N 0.64 1.14 -0.82 3.13 2.04 -0.57 0.24 117.51 123.31 1rjr h ILE 168 Ca 0.13 -0.38 -0.03 0.00 1.00 0.00 0.00 64.86 65.58 1rjr h ILE 168 Cb 0.46 -0.05 -0.04 0.00 -0.74 0.00 0.00 36.82 36.45 1rjr h ILE 168 CO 0.02 0.20 0.39 1.56 0.00 0.00 0.00 178.15 180.31 1rjr h GLN 169 N 1.10 1.18 -0.35 2.37 4.20 -0.68 -0.36 115.11 122.57 1rjr h GLN 169 Ca 0.35 -0.17 -0.06 0.00 0.06 0.00 0.00 58.65 58.82 1rjr h GLN 169 Cb 0.00 -0.21 -0.01 0.00 0.30 0.00 0.00 27.48 27.56 1rjr h GLN 169 CO -0.12 0.91 -0.03 0.00 -0.67 0.00 0.00 178.83 178.92 1rjr h ALA 170 N 1.25 0.48 -0.42 3.87 0.00 0.16 -1.76 119.26 122.84 1rjr h ALA 170 Ca 0.28 -0.27 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 1rjr h ALA 170 Cb 0.12 -0.13 -0.02 0.00 0.00 0.00 0.00 17.79 17.77 1rjr h ALA 170 CO -0.03 0.28 -0.00 0.52 0.00 0.00 0.00 179.25 180.01 1rjr h MET 171 N 0.45 0.75 -0.95 0.00 2.86 -0.39 -2.52 114.93 115.13 1rjr h MET 171 Ca 0.10 -0.24 0.01 0.00 -2.06 0.00 0.00 59.70 57.51 1rjr h MET 171 Cb 0.51 -0.07 -0.05 0.00 0.06 0.00 0.00 31.60 32.06 1rjr h MET 171 CO 0.02 0.82 0.63 0.37 1.06 0.00 0.00 176.91 179.82 1rjr h GLN 172 N 0.58 1.25 -0.74 1.72 -0.00 -1.04 0.19 115.11 117.08 1rjr h GLN 172 Ca 0.12 -0.08 -0.00 0.00 -0.00 0.00 0.00 58.65 58.69 1rjr h GLN 172 Cb 0.49 -0.28 -0.04 0.00 0.00 0.00 0.00 27.48 27.65 1rjr h GLN 172 CO 0.02 0.83 0.46 0.00 0.00 0.00 0.00 178.83 180.14 1rjr h ALA 173 N 1.35 0.94 -0.26 3.38 0.00 -1.11 0.35 119.26 123.90 1rjr h ALA 173 Ca 0.35 -0.08 -0.06 0.00 0.00 0.00 0.00 54.91 55.12 1rjr h ALA 173 Cb -0.15 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 17.34 1rjr h ALA 173 CO -0.07 0.39 -0.06 -0.07 0.00 0.00 0.00 179.25 179.44 1rjr h LEU 174 N 1.00 0.50 -0.84 0.00 3.38 -0.92 -1.42 115.31 117.01 1rjr h LEU 174 Ca 0.27 -0.36 0.06 0.00 0.09 0.00 0.00 57.88 57.93 1rjr h LEU 174 Cb -0.06 -0.14 -0.06 0.00 0.09 0.00 0.00 40.66 40.50 1rjr h LEU 174 CO -0.05 0.75 0.52 0.00 0.09 0.00 0.00 178.44 179.75 1rjr h ALA 175 N 0.77 1.15 -0.44 1.53 0.00 -0.18 -0.84 119.26 121.25 1rjr h ALA 175 Ca 0.07 -0.01 -0.11 0.00 0.00 0.00 0.00 54.91 54.86 1rjr h ALA 175 Cb 0.52 -0.23 -0.01 0.00 0.00 0.00 0.00 17.79 18.07 1rjr h ALA 175 CO 0.02 0.27 -0.14 0.22 0.00 0.00 0.00 179.25 179.63 1rjr h ASP 176 N 0.96 0.89 -0.62 0.00 1.82 -0.11 -1.99 116.42 117.37 1rjr h ASP 176 Ca 0.36 -0.38 -0.02 0.00 -0.39 0.00 0.00 57.03 56.61 1rjr h ASP 176 Cb 0.15 -0.25 -0.03 0.00 0.68 0.00 0.00 39.33 39.89 1rjr h ASP 176 CO -0.17 1.07 0.33 0.44 -1.61 0.00 0.00 179.24 179.30 1rjr h ASP 177 N 0.71 0.79 0.14 2.28 3.32 -0.68 0.35 116.42 123.33 1rjr h ASP 177 Ca 0.11 -0.10 -0.00 0.00 0.02 0.00 0.00 57.03 57.05 1rjr h ASP 177 Cb 0.69 -0.20 -0.01 0.00 0.22 0.00 0.00 39.33 40.03 1rjr h ASP 177 CO 0.05 0.67 -0.11 0.00 -1.72 0.00 0.00 179.24 178.13 1rjr h ALA 178 N 1.15 -0.24 -0.80 3.45 0.00 -1.07 0.20 119.26 121.96 1rjr h ALA 178 Ca 0.22 -0.04 0.04 0.00 0.00 0.00 0.00 54.91 55.13 1rjr h ALA 178 Cb 0.06 0.14 -0.05 0.00 0.00 0.00 0.00 17.79 17.95 1rjr h ALA 178 CO -0.03 -0.65 0.50 -0.07 0.00 0.00 0.00 179.25 179.00 1rjr h LEU 179 N -0.26 0.81 -1.42 0.00 3.38 -1.20 -0.83 115.31 115.79 1rjr h LEU 179 Ca -0.01 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1rjr h LEU 179 Cb 0.23 -0.17 -0.02 0.00 0.09 0.00 0.00 40.66 40.79 1rjr h LEU 179 CO -0.01 0.55 0.26 0.00 0.09 0.00 0.00 178.44 179.32 1rjr h ALA 180 N 1.35 1.56 0.00 1.53 0.00 -0.18 -1.33 119.26 122.20 1rjr h ALA 180 Ca 0.33 -0.08 0.00 0.00 0.00 0.00 0.00 54.91 55.16 1rjr h ALA 180 Cb 0.07 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.67 1rjr h ALA 180 CO -0.14 0.37 0.00 0.77 0.00 0.00 0.00 179.25 180.25 1rjr h SER 181 N 0.65 0.00 0.00 0.00 0.02 0.67 -3.47 113.55 111.43 1rjr h SER 181 Ca 0.17 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.12 1rjr h SER 181 Cb 0.02 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.56 1rjr h SER 181 CO -0.03 0.00 0.00 0.61 -1.14 0.00 0.00 176.83 176.27 1rjr n GLY 182 N 0.94 -0.27 3.77 -3.77 0.00 -0.48 -5.01 105.19 100.37 1rjr n GLY 182 Ca 0.04 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.65 1rjr n GLY 182 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjr n ALA 183 N 0.00 2.33 1.40 4.61 0.00 -0.46 -4.68 120.51 123.72 1rjr n ALA 183 Ca 0.00 0.34 0.14 0.00 0.00 0.00 0.00 53.44 53.92 1rjr n ALA 183 Cb 0.00 -2.41 0.48 0.00 0.00 0.00 0.00 19.45 17.52 1rjr n ALA 183 CO 0.00 0.00 0.00 0.44 0.00 0.00 0.00 177.50 177.94 1rjr n ILE 184 N 0.52 0.00 -3.01 0.00 -5.35 0.13 -4.56 119.36 107.09 1rjr n ILE 184 Ca 0.02 -0.18 0.00 0.00 -0.27 0.00 0.00 62.75 62.32 1rjr n ILE 184 Cb 0.39 0.40 0.00 0.00 -1.74 0.00 0.00 39.64 38.68 1rjr n ILE 184 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1rjr n GLY 185 N 1.24 -1.34 3.02 3.28 0.00 -1.26 -2.17 105.19 107.95 1rjr n GLY 185 Ca 0.16 -0.97 -0.19 0.00 0.00 0.00 0.00 46.02 45.02 1rjr n GLY 185 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjr s ILE 186 N -2.90 0.72 0.23 -0.61 1.01 -0.76 -1.81 121.20 117.10 1rjr s ILE 186 Ca 0.00 -0.38 0.11 0.00 0.00 0.00 0.00 60.65 60.39 1rjr s ILE 186 Cb 0.00 -0.62 -0.05 0.00 0.01 0.00 0.00 42.46 41.81 1rjr s ILE 186 CO 0.00 0.21 -0.21 -0.94 0.00 0.00 0.00 174.94 174.00 1rjr s SER 187 N -0.11 3.38 0.18 3.58 1.04 -0.71 -1.90 113.70 119.15 1rjr s SER 187 Ca 0.02 -0.96 0.04 0.00 0.48 0.00 0.00 55.95 55.53 1rjr s SER 187 Cb -0.05 -0.26 -0.05 0.00 0.10 0.00 0.00 66.02 65.77 1rjr s SER 187 CO -0.00 0.04 -0.06 0.42 0.98 0.00 0.00 173.24 174.62 1rjr s THR 188 N -2.22 1.10 -0.45 2.02 -4.23 -0.73 -0.99 115.64 110.14 1rjr s THR 188 Ca 0.25 -2.05 0.07 0.00 -1.18 0.00 0.00 61.69 58.78 1rjr s THR 188 Cb -0.06 -2.03 0.28 0.00 1.34 0.00 0.00 72.50 72.03 1rjr s THR 188 CO 0.12 -0.59 0.86 0.61 -0.54 0.00 0.00 174.62 175.08 1rjr n GLY 189 N -0.28 1.17 0.00 3.99 0.00 -1.18 -1.26 105.19 107.63 1rjr n GLY 189 Ca -0.08 -0.45 0.03 0.00 0.00 0.00 0.00 46.02 45.53 1rjr n GLY 189 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjr n ALA 190 N 1.10 1.34 0.12 4.61 0.00 -1.25 -1.61 120.51 124.82 1rjr n ALA 190 Ca 0.13 -0.03 0.01 0.00 0.00 0.00 0.00 53.44 53.55 1rjr n ALA 190 Cb 0.63 -1.11 0.35 0.00 0.00 0.00 0.00 19.45 19.32 1rjr n ALA 190 CO 0.00 0.00 0.00 0.35 0.00 0.00 0.00 177.50 177.85 1rjr h PHE 191 N 0.00 0.24 -3.53 0.00 3.57 -1.74 -3.25 116.94 112.23 1rjr h PHE 191 Ca 0.00 -0.04 -0.51 0.00 3.53 0.00 0.00 57.97 60.95 1rjr h PHE 191 Cb 0.12 -0.06 -0.02 0.00 2.79 0.00 0.00 35.95 38.77 1rjr h PHE 191 CO 0.00 0.43 -0.02 0.71 -2.23 0.00 0.00 178.31 177.20 1rjr s TYR 192 N -4.54 3.43 0.26 0.41 2.02 -0.63 -4.83 117.35 113.45 1rjr s TYR 192 Ca -0.05 0.96 -0.10 0.00 -0.37 0.00 0.00 57.07 57.51 1rjr s TYR 192 Cb 0.15 -2.35 0.39 0.00 -0.40 0.00 0.00 41.96 39.75 1rjr s TYR 192 CO 0.74 0.13 1.58 -1.35 -1.57 0.00 0.00 175.55 175.09 1rjr h PRO 193 N 2.08 -0.00 -0.37 -1.71 0.11 -1.87 0.11 132.00 130.35 1rjr h PRO 193 Ca -0.47 0.00 0.11 0.00 0.11 0.00 0.00 66.00 65.74 1rjr h PRO 193 Cb 1.18 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.27 1rjr h PRO 193 CO 0.67 -0.00 0.32 -1.35 -0.21 0.00 0.00 178.00 177.43 1rjr h PRO 194 N -0.00 0.00 0.00 1.05 0.11 -1.92 -2.99 132.00 128.26 1rjr h PRO 194 Ca 0.42 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.53 1rjr h PRO 194 Cb 0.64 0.00 0.00 0.00 0.11 0.00 0.00 31.00 31.75 1rjr h PRO 194 CO -0.91 0.00 -0.00 0.00 -0.21 0.00 0.00 178.00 176.88 1rjr n ALA 195 N -2.48 1.80 0.23 -0.75 0.00 -0.07 -4.75 120.51 114.50 1rjr n ALA 195 Ca 0.06 -0.92 0.06 0.00 0.00 0.00 0.00 53.44 52.65 1rjr n ALA 195 Cb 0.50 -0.00 0.55 0.00 0.00 0.00 0.00 19.45 20.49 1rjr n ALA 195 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjr h ALA 196 N 0.00 1.81 -0.31 0.00 0.00 -0.72 -1.82 119.26 118.23 1rjr h ALA 196 Ca 0.00 -0.10 0.00 0.00 0.00 0.00 0.00 54.91 54.81 1rjr h ALA 196 Cb 0.61 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.38 1rjr h ALA 196 CO 0.00 0.14 0.00 0.72 0.00 0.00 0.00 179.25 180.11 1rjr n HIS 197 N -4.41 0.40 -2.74 0.00 8.25 -1.26 -4.88 115.22 110.58 1rjr n HIS 197 Ca -0.03 -0.20 -0.42 0.00 -0.26 0.00 0.00 57.72 56.82 1rjr n HIS 197 Cb 0.18 0.00 -0.03 0.00 1.12 0.00 0.00 29.99 31.26 1rjr n HIS 197 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rjr s ALA 198 N -1.60 3.20 0.57 -1.41 0.00 -0.68 -3.54 121.76 118.30 1rjr s ALA 198 Ca 0.33 0.52 -0.07 0.00 0.00 0.00 0.00 51.96 52.73 1rjr s ALA 198 Cb 0.18 -3.29 -0.02 0.00 0.00 0.00 0.00 23.12 19.99 1rjr s ALA 198 CO 0.25 -0.17 0.91 -1.54 0.00 0.00 0.00 175.76 175.21 1rjr s SER 199 N 0.74 5.94 0.24 0.00 1.04 -1.26 -4.95 113.70 115.45 1rjr s SER 199 Ca 0.50 0.97 -0.07 0.00 0.48 0.00 0.00 55.95 57.83 1rjr s SER 199 Cb -0.21 -2.07 0.26 0.00 0.10 0.00 0.00 66.02 64.10 1rjr s SER 199 CO 0.28 -0.88 1.89 0.74 0.98 0.00 0.00 173.24 176.24 1rjr h THR 200 N -0.11 1.16 -0.78 2.02 2.02 -2.00 -2.14 112.91 113.08 1rjr h THR 200 Ca -0.46 -0.39 -0.04 0.00 0.77 0.00 0.00 66.41 66.29 1rjr h THR 200 Cb 1.22 -0.07 -0.03 0.00 -1.74 0.00 0.00 68.15 67.53 1rjr h THR 200 CO 0.62 0.21 0.32 -0.33 0.37 0.00 0.00 175.52 176.71 1rjr h GLU 201 N 1.13 1.16 -0.30 6.66 4.39 -1.99 -1.47 114.58 124.15 1rjr h GLU 201 Ca 0.35 -0.20 0.02 0.00 0.34 0.00 0.00 59.36 59.87 1rjr h GLU 201 Cb -0.02 -0.19 -0.03 0.00 -0.10 0.00 0.00 28.75 28.41 1rjr h GLU 201 CO -0.11 0.93 0.14 1.49 -1.16 0.00 0.00 179.01 180.31 1rjr h GLU 202 N 1.13 0.29 -0.83 2.33 4.81 -1.81 -0.70 114.58 119.80 1rjr h GLU 202 Ca 0.26 -0.02 0.04 0.00 -0.13 0.00 0.00 59.36 59.51 1rjr h GLU 202 Cb 0.20 -0.07 -0.05 0.00 0.63 0.00 0.00 28.75 29.46 1rjr h GLU 202 CO -0.02 0.19 0.53 0.82 -0.73 0.00 0.00 179.01 179.80 1rjr h ILE 203 N 0.30 1.11 0.03 2.32 2.04 -1.03 -1.37 117.51 120.92 1rjr h ILE 203 Ca 0.13 -0.35 -0.00 0.00 1.00 0.00 0.00 64.86 65.64 1rjr h ILE 203 Cb 0.05 0.01 0.00 0.00 -0.74 0.00 0.00 36.82 36.14 1rjr h ILE 203 CO -0.10 0.19 -0.01 0.40 0.00 0.00 0.00 178.15 178.62 1rjr h ILE 204 N 1.02 1.09 -0.37 -0.67 2.04 -0.75 -1.72 117.51 118.15 1rjr h ILE 204 Ca 0.34 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.85 1rjr h ILE 204 Cb 0.04 1.35 -0.03 0.00 -0.74 0.00 0.00 36.82 37.43 1rjr h ILE 204 CO -0.12 0.10 0.17 -0.33 0.00 0.00 0.00 178.15 177.96 1rjr h GLU 205 N -0.20 0.34 -0.40 2.37 4.39 -0.88 -1.98 114.58 118.21 1rjr h GLU 205 Ca -0.00 -0.02 -0.03 0.00 0.34 0.00 0.00 59.36 59.64 1rjr h GLU 205 Cb 0.19 -0.08 -0.02 0.00 -0.10 0.00 0.00 28.75 28.74 1rjr h GLU 205 CO 0.01 0.22 0.12 0.28 -1.16 0.00 0.00 179.01 178.48 1rjr h VAL 206 N 0.35 1.17 -0.06 3.13 2.07 -1.20 -2.96 116.25 118.76 1rjr h VAL 206 Ca 0.16 -0.59 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1rjr h VAL 206 Cb 0.09 0.74 0.00 0.00 -1.52 0.00 0.00 31.29 30.60 1rjr h VAL 206 CO -0.13 0.22 0.00 0.00 0.02 0.00 0.00 177.57 177.68 1rjr h ARG 208 N 1.99 0.23 0.00 0.00 3.08 -1.20 -1.34 114.38 117.14 1rjr h ARG 208 Ca 0.00 -0.01 0.00 0.00 0.07 0.00 0.00 59.98 60.04 1rjr h ARG 208 Cb 0.43 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 30.43 1rjr h ARG 208 CO 0.00 0.15 0.03 -1.35 -1.07 0.00 0.00 179.97 177.74 1rjr h PRO 209 N 0.24 0.00 -0.91 0.04 0.11 -1.84 -2.67 132.00 126.97 1rjr h PRO 209 Ca 0.32 0.00 0.06 0.00 0.11 0.00 0.00 66.00 66.48 1rjr h PRO 209 Cb 0.91 0.00 -0.06 0.00 0.11 0.00 0.00 31.00 31.96 1rjr h PRO 209 CO -0.07 0.00 0.58 -0.07 -0.21 0.00 0.00 178.00 178.23 1rjr h LEU 210 N 0.00 0.92 -0.82 2.35 3.38 -1.58 -1.17 115.31 118.38 1rjr h LEU 210 Ca 0.00 0.01 -0.12 0.00 0.09 0.00 0.00 57.88 57.86 1rjr h LEU 210 Cb 0.07 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1rjr h LEU 210 CO 0.00 0.59 -0.49 -0.29 0.09 0.00 0.00 178.44 178.34 1rjr h ILE 211 N 1.06 1.34 -0.34 1.22 2.10 -1.70 0.67 117.51 121.86 1rjr h ILE 211 Ca 0.39 -1.71 -0.08 0.00 1.08 0.00 0.00 64.86 64.54 1rjr h ILE 211 Cb 0.14 1.81 -0.01 0.00 -1.09 0.00 0.00 36.82 37.68 1rjr h ILE 211 CO -0.17 0.51 -0.08 0.74 -1.08 0.00 0.00 178.15 178.07 1rjr h THR 212 N 0.19 1.28 -0.01 2.19 2.02 -1.48 -3.19 112.91 113.91 1rjr h THR 212 Ca 0.01 -1.14 0.00 0.00 0.77 0.00 0.00 66.41 66.05 1rjr h THR 212 Cb 0.94 1.32 0.00 0.00 -1.74 0.00 0.00 68.15 68.67 1rjr h THR 212 CO 0.08 0.37 -0.43 1.41 0.37 0.00 0.00 175.52 177.31 1rjr n HIS 213 N -4.43 0.00 -2.89 3.16 8.25 -0.53 -5.00 115.22 113.79 1rjr n HIS 213 Ca -0.02 0.00 -0.11 0.00 -0.26 0.00 0.00 57.72 57.32 1rjr n HIS 213 Cb 0.34 -0.09 0.06 0.00 1.12 0.00 0.00 29.99 31.41 1rjr n HIS 213 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 1rjr n GLY 214 N 1.40 -0.29 3.86 -1.41 0.00 0.23 -5.06 105.19 103.92 1rjr n GLY 214 Ca 0.10 0.09 -0.27 0.00 0.00 0.00 0.00 46.02 45.93 1rjr n GLY 214 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1rjr s GLY 215 N -3.68 2.48 0.24 -0.02 0.00 -0.73 -4.97 107.32 100.63 1rjr s GLY 215 Ca 0.13 -1.20 0.06 0.00 0.00 0.00 0.00 44.72 43.71 1rjr s GLY 215 CO 0.52 -1.98 0.26 -1.34 0.00 0.00 0.00 173.10 170.56 1rjr s VAL 216 N -2.76 4.79 -0.29 1.40 -7.23 -0.92 -4.52 120.40 110.86 1rjr s VAL 216 Ca 0.30 -1.21 -0.07 0.00 -1.81 0.00 0.00 61.98 59.20 1rjr s VAL 216 Cb -0.01 -3.58 0.01 0.00 0.56 0.00 0.00 36.38 33.36 1rjr s VAL 216 CO 0.18 -0.32 0.08 -0.47 -0.31 0.00 0.00 175.10 174.26 1rjr s TYR 217 N -2.04 3.15 0.00 2.82 5.04 -0.13 -1.82 117.35 124.36 1rjr s TYR 217 Ca 0.33 -1.00 0.03 0.00 -2.44 0.00 0.00 57.07 53.99 1rjr s TYR 217 Cb -0.08 -2.25 -0.03 0.00 0.35 0.00 0.00 41.96 39.94 1rjr s TYR 217 CO 0.27 -0.58 -0.06 0.00 -1.34 0.00 0.00 175.55 173.83 1rjr s ALA 218 N 1.49 3.04 -0.10 3.97 0.00 -0.80 0.42 121.76 129.79 1rjr s ALA 218 Ca 0.02 -1.02 -0.08 0.00 0.00 0.00 0.00 51.96 50.89 1rjr s ALA 218 Cb -0.17 -1.15 0.03 0.00 0.00 0.00 0.00 23.12 21.83 1rjr s ALA 218 CO 0.02 0.62 0.25 -0.08 0.00 0.00 0.00 175.76 176.57 1rjr s THR 219 N -1.01 -0.01 -0.54 0.00 -1.32 0.42 -1.77 115.64 111.40 1rjr s THR 219 Ca 0.17 0.03 -0.18 0.00 -1.21 0.00 0.00 61.69 60.50 1rjr s THR 219 Cb -0.11 -0.36 0.09 0.00 -1.51 0.00 0.00 72.50 70.61 1rjr s THR 219 CO 0.08 0.01 0.61 -2.28 -2.21 0.00 0.00 174.62 170.83 1rjr s HIS 220 N 0.36 3.08 0.63 9.09 5.65 -0.39 -0.76 115.29 132.95 1rjr s HIS 220 Ca -0.02 -0.85 -0.17 0.00 0.25 0.00 0.00 55.06 54.27 1rjr s HIS 220 Cb -0.03 -3.71 -0.05 0.00 -1.18 0.00 0.00 32.58 27.60 1rjr s HIS 220 CO -0.02 -1.11 0.75 -1.33 -0.65 0.00 0.00 174.74 172.39 1rjr n MET 221 N 6.00 0.61 -0.27 2.88 0.00 -1.26 -3.77 117.12 121.31 1rjr n MET 221 Ca -0.09 0.25 0.15 0.00 0.00 0.00 0.00 57.70 58.01 1rjr n MET 221 Cb 0.43 -1.97 0.43 0.00 0.00 0.00 0.00 33.22 32.11 1rjr n MET 221 CO 0.00 0.00 0.00 -0.09 0.00 0.00 0.00 175.97 175.88 1rjr h ARG 222 N 0.15 0.56 -3.03 0.03 2.43 -1.89 -3.38 114.38 109.25 1rjr h ARG 222 Ca -0.47 -0.03 -0.12 0.00 -0.81 0.00 0.00 59.98 58.54 1rjr h ARG 222 Cb 1.37 -0.13 -0.21 0.00 -0.42 0.00 0.00 29.97 30.58 1rjr h ARG 222 CO 0.48 0.37 -0.29 0.34 -1.51 0.00 0.00 179.97 179.36 1rjr s ASP 223 N -5.65 -0.21 -0.09 -3.80 -1.08 -1.26 -4.00 116.67 100.57 1rjr s ASP 223 Ca -0.09 0.20 0.13 0.00 -0.52 0.00 0.00 52.55 52.26 1rjr s ASP 223 Cb 0.23 0.38 0.24 0.00 -1.46 0.00 0.00 42.92 42.31 1rjr s ASP 223 CO 0.79 -0.38 1.12 -0.62 0.52 0.00 0.00 175.17 176.60 1rjr n GLU 224 N 1.62 0.82 0.00 4.34 1.02 -1.26 -4.24 120.64 122.93 1rjr n GLU 224 Ca -0.20 -2.17 0.00 0.00 -0.02 0.00 0.00 57.16 54.77 1rjr n GLU 224 Cb 0.56 -1.06 0.00 0.00 -0.02 0.00 0.00 31.44 30.92 1rjr n GLU 224 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1rjr n GLY 225 N -0.76 2.67 0.36 0.62 0.00 -1.26 -1.28 105.19 105.54 1rjr n GLY 225 Ca 0.11 -0.23 0.12 0.00 0.00 0.00 0.00 46.02 46.02 1rjr n GLY 225 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1rjr h GLU 226 N 0.00 0.78 -0.69 1.61 4.81 -1.95 -2.37 114.58 116.77 1rjr h GLU 226 Ca 0.00 -0.05 -0.32 0.00 -0.13 0.00 0.00 59.36 58.87 1rjr h GLU 226 Cb 0.00 -0.18 -0.19 0.00 0.63 0.00 0.00 28.75 29.01 1rjr h GLU 226 CO 0.00 0.52 0.30 0.72 -0.73 0.00 0.00 179.01 179.81 1rjr n HIS 227 N -4.73 2.16 0.21 0.92 8.25 -1.26 -4.67 115.22 116.10 1rjr n HIS 227 Ca 0.22 -1.59 0.04 0.00 -0.26 0.00 0.00 57.72 56.13 1rjr n HIS 227 Cb 0.53 -0.71 0.43 0.00 1.12 0.00 0.00 29.99 31.37 1rjr n HIS 227 CO 0.00 0.00 0.00 0.97 0.64 0.00 0.00 176.34 177.95 1rjr h ILE 228 N 1.35 1.17 -0.64 1.59 2.10 -1.60 -2.02 117.51 119.46 1rjr h ILE 228 Ca 0.39 -0.98 -0.04 0.00 1.08 0.00 0.00 64.86 65.31 1rjr h ILE 228 Cb 2.28 1.53 -0.03 0.00 -1.09 0.00 0.00 36.82 39.51 1rjr h ILE 228 CO 0.74 0.28 0.22 0.58 -1.08 0.00 0.00 178.15 178.89 1rjr h VAL 229 N 0.00 1.24 -0.54 2.19 2.07 -1.84 0.22 116.25 119.59 1rjr h VAL 229 Ca -0.00 -0.80 -0.10 0.00 0.82 0.00 0.00 66.70 66.62 1rjr h VAL 229 Cb 0.51 0.56 -0.02 0.00 -1.52 0.00 0.00 31.29 30.82 1rjr h VAL 229 CO 0.04 0.31 -0.06 1.56 0.02 0.00 0.00 177.57 179.44 1rjr h GLN 230 N 0.91 0.98 -0.05 1.57 7.50 -1.82 0.17 115.11 124.35 1rjr h GLN 230 Ca 0.21 -0.33 -0.15 0.00 0.50 0.00 0.00 58.65 58.88 1rjr h GLN 230 Cb 0.25 -0.08 -0.01 0.00 0.05 0.00 0.00 27.48 27.69 1rjr h GLN 230 CO -0.01 1.00 -0.64 0.00 -1.50 0.00 0.00 178.83 177.68 1rjr h ALA 231 N 1.04 0.82 -0.18 3.87 0.00 -0.96 -1.32 119.26 122.53 1rjr h ALA 231 Ca 0.15 -0.57 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1rjr h ALA 231 Cb 0.60 -0.09 -0.00 0.00 0.00 0.00 0.00 17.79 18.30 1rjr h ALA 231 CO 0.04 0.76 -0.14 -0.07 0.00 0.00 0.00 179.25 179.83 1rjr h LEU 232 N 0.15 0.44 -1.05 0.00 3.38 -0.26 -1.89 115.31 116.09 1rjr h LEU 232 Ca -0.01 -0.45 -0.03 0.00 0.09 0.00 0.00 57.88 57.47 1rjr h LEU 232 Cb 1.16 -0.12 -0.03 0.00 0.09 0.00 0.00 40.66 41.75 1rjr h LEU 232 CO 0.10 0.80 0.29 -0.33 0.09 0.00 0.00 178.44 179.39 1rjr h GLU 233 N 0.09 0.96 -0.72 1.13 4.39 -0.84 0.32 114.58 119.90 1rjr h GLU 233 Ca 0.03 -0.14 -0.02 0.00 0.34 0.00 0.00 59.36 59.57 1rjr h GLU 233 Cb 0.66 -0.17 -0.03 0.00 -0.10 0.00 0.00 28.75 29.11 1rjr h GLU 233 CO 0.04 0.77 0.39 1.49 -1.16 0.00 0.00 179.01 180.54 1rjr h GLU 234 N 0.95 1.01 -0.18 2.33 4.81 -1.15 0.12 114.58 122.46 1rjr h GLU 234 Ca 0.23 -0.12 -0.02 0.00 -0.13 0.00 0.00 59.36 59.32 1rjr h GLU 234 Cb 0.15 -0.20 -0.01 0.00 0.63 0.00 0.00 28.75 29.32 1rjr h GLU 234 CO -0.02 0.76 0.05 1.15 -0.73 0.00 0.00 179.01 180.21 1rjr h THR 235 N 1.00 1.20 -0.55 0.32 2.02 -0.56 -0.26 112.91 116.09 1rjr h THR 235 Ca 0.25 -0.62 0.00 0.00 0.77 0.00 0.00 66.41 66.81 1rjr h THR 235 Cb 0.04 1.26 -0.03 0.00 -1.74 0.00 0.00 68.15 67.69 1rjr h THR 235 CO -0.04 0.19 0.35 -0.26 0.37 0.00 0.00 175.52 176.13 1rjr h PHE 236 N 0.11 0.70 -0.25 3.16 0.04 -0.68 -1.46 116.94 118.56 1rjr h PHE 236 Ca 0.06 0.01 0.03 0.00 2.80 0.00 0.00 57.97 60.87 1rjr h PHE 236 Cb 0.25 -0.24 -0.03 0.00 2.20 0.00 0.00 35.95 38.13 1rjr h PHE 236 CO 0.01 0.46 0.05 -0.09 -0.60 0.00 0.00 178.31 178.14 1rjr h ARG 237 N 0.74 0.14 -0.51 1.51 9.65 -0.60 -1.24 114.38 124.08 1rjr h ARG 237 Ca 0.20 -0.01 0.06 0.00 -1.10 0.00 0.00 59.98 59.13 1rjr h ARG 237 Cb -0.05 -0.03 -0.05 0.00 -1.39 0.00 0.00 29.97 28.44 1rjr h ARG 237 CO -0.04 0.09 0.22 0.82 2.80 0.00 0.00 179.97 183.87 1rjr h ILE 238 N 0.15 0.90 -0.70 1.20 2.04 -0.71 -0.74 117.51 119.64 1rjr h ILE 238 Ca 0.12 -0.15 0.06 0.00 1.00 0.00 0.00 64.86 65.89 1rjr h ILE 238 Cb 0.12 0.42 -0.06 0.00 -0.74 0.00 0.00 36.82 36.56 1rjr h ILE 238 CO -0.15 0.08 0.40 1.23 0.00 0.00 0.00 178.15 179.71 1rjr h GLY 239 N 0.43 1.04 0.97 5.37 0.00 -0.58 -1.29 103.07 109.01 1rjr h GLY 239 Ca 0.23 -0.28 -0.06 0.00 0.00 0.00 0.00 47.33 47.22 1rjr h GLY 239 CO -0.20 0.17 0.06 3.21 0.00 0.00 0.00 176.54 179.79 1rjr h ARG 240 N 0.74 0.77 -0.33 4.80 3.08 -0.55 0.40 114.38 123.28 1rjr h ARG 240 Ca 0.31 -0.21 -0.08 0.00 0.07 0.00 0.00 59.98 60.07 1rjr h ARG 240 Cb 0.19 -0.09 -0.02 0.00 0.08 0.00 0.00 29.97 30.14 1rjr h ARG 240 CO -0.18 0.79 -0.13 0.93 -1.07 0.00 0.00 179.97 180.31 1rjr h GLU 241 N 0.63 0.57 0.00 0.04 4.39 -0.70 -3.11 114.58 116.39 1rjr h GLU 241 Ca 0.14 -0.17 -0.24 0.00 0.34 0.00 0.00 59.36 59.43 1rjr h GLU 241 Cb 0.41 -0.05 -0.04 0.00 -0.10 0.00 0.00 28.75 28.96 1rjr h GLU 241 CO 0.01 0.69 -1.44 -0.07 -1.16 0.00 0.00 179.01 177.03 1rjr h LEU 242 N 0.52 0.00 -1.25 1.33 3.38 -1.15 -3.49 115.31 114.65 1rjr h LEU 242 Ca 0.09 0.00 -0.27 0.00 0.09 0.00 0.00 57.88 57.79 1rjr h LEU 242 Cb 0.54 0.00 0.11 0.00 0.09 0.00 0.00 40.66 41.40 1rjr h LEU 242 CO 0.03 0.87 -0.52 -0.67 0.09 0.00 0.00 178.44 178.24 1rjr n ASP 243 N -3.07 -3.86 -4.32 -0.43 2.03 0.14 -4.67 116.55 102.37 1rjr n ASP 243 Ca -0.11 -0.42 -0.17 0.00 0.52 0.00 0.00 54.79 54.61 1rjr n ASP 243 Cb 0.96 -3.83 -0.10 0.00 -0.72 0.00 0.00 41.12 37.43 1rjr n ASP 243 CO 0.00 0.00 0.00 0.68 -1.92 0.00 0.00 177.20 175.96 1rjr s VAL 244 N -3.25 0.93 0.30 5.18 -7.23 -1.21 -4.94 120.40 110.18 1rjr s VAL 244 Ca 0.25 -2.02 -0.29 0.00 -1.81 0.00 0.00 61.98 58.11 1rjr s VAL 244 Cb -0.11 -2.39 -0.10 0.00 0.56 0.00 0.00 36.38 34.34 1rjr s VAL 244 CO 0.53 -0.27 1.18 -2.84 -0.31 0.00 0.00 175.10 173.39 1rjr s PRO 245 N -3.90 4.53 0.00 4.82 0.02 -1.26 -4.78 135.00 134.44 1rjr s PRO 245 Ca 0.30 1.97 0.03 0.00 0.02 0.00 0.00 61.00 63.31 1rjr s PRO 245 Cb 0.06 -3.14 -0.03 0.00 0.02 0.00 0.00 34.50 31.41 1rjr s PRO 245 CO 0.09 0.06 -0.04 0.14 -0.33 0.00 0.00 177.00 176.92 1rjr s VAL 246 N -1.15 3.83 -0.16 3.83 -7.23 -0.53 -0.96 120.40 118.03 1rjr s VAL 246 Ca 0.46 -0.72 0.01 0.00 -1.81 0.00 0.00 61.98 59.93 1rjr s VAL 246 Cb -0.35 -2.69 0.02 0.00 0.56 0.00 0.00 36.38 33.92 1rjr s VAL 246 CO 0.46 0.38 -0.18 -0.69 -0.31 0.00 0.00 175.10 174.76 1rjr s VAL 247 N -1.03 1.89 -0.37 1.32 1.01 0.17 -1.21 120.40 122.18 1rjr s VAL 247 Ca 0.18 -0.84 -0.22 0.00 0.00 0.00 0.00 61.98 61.10 1rjr s VAL 247 Cb -0.11 -1.72 0.01 0.00 0.00 0.00 0.00 36.38 34.56 1rjr s VAL 247 CO 0.09 0.51 0.70 -0.63 0.00 0.00 0.00 175.10 175.77 1rjr s ILE 248 N 1.27 4.81 0.50 2.22 1.01 0.18 -0.44 121.20 130.75 1rjr s ILE 248 Ca 0.03 0.67 -0.20 0.00 0.00 0.00 0.00 60.65 61.15 1rjr s ILE 248 Cb -0.13 -4.15 -0.08 0.00 0.01 0.00 0.00 42.46 38.11 1rjr s ILE 248 CO -0.10 -0.40 1.06 -0.44 0.00 0.00 0.00 174.94 175.06 1rjr s SER 249 N 1.84 6.16 -0.07 3.58 0.01 0.06 -2.46 113.70 122.82 1rjr s SER 249 Ca 0.27 1.99 -0.01 0.00 1.31 0.00 0.00 55.95 59.51 1rjr s SER 249 Cb -0.14 -2.57 0.00 0.00 0.21 0.00 0.00 66.02 63.53 1rjr s SER 249 CO 0.16 -0.91 0.05 0.00 0.41 0.00 0.00 173.24 172.95 1rjr n HIS 250 N -1.08 -0.13 -1.75 2.43 -0.00 -1.08 -4.76 115.22 108.86 1rjr n HIS 250 Ca 0.10 0.04 -0.41 0.00 -0.00 0.00 0.00 57.72 57.45 1rjr n HIS 250 Cb 0.52 -0.20 0.01 0.00 -0.00 0.00 0.00 29.99 30.32 1rjr n HIS 250 CO 0.00 0.00 0.00 1.58 -0.00 0.00 0.00 176.34 177.92 1rjr n HIS 251 N -0.92 2.64 -3.63 -1.40 -0.00 -0.24 -4.93 115.22 106.74 1rjr n HIS 251 Ca -0.02 0.47 -0.03 0.00 0.46 0.00 0.00 57.72 58.60 1rjr n HIS 251 Cb 0.05 -2.46 -0.01 0.00 -0.12 0.00 0.00 29.99 27.44 1rjr n HIS 251 CO 0.00 0.00 0.00 -1.59 0.46 0.00 0.00 176.34 175.21 1rjr s LYS 252 N -2.22 0.75 -0.18 1.57 -2.85 -1.26 -4.83 119.74 110.71 1rjr s LYS 252 Ca 0.58 -0.37 0.01 0.00 -1.00 0.00 0.00 55.97 55.19 1rjr s LYS 252 Cb -0.48 0.28 0.03 0.00 -2.06 0.00 0.00 37.83 35.60 1rjr s LYS 252 CO 0.60 -0.34 -0.13 0.14 0.10 0.00 0.00 175.35 175.73 1rjr s VAL 253 N -2.87 1.67 0.08 1.79 -7.23 -1.26 -4.85 120.40 107.73 1rjr s VAL 253 Ca 0.11 -0.89 0.04 0.00 -1.81 0.00 0.00 61.98 59.43 1rjr s VAL 253 Cb 0.00 -1.66 -0.04 0.00 0.56 0.00 0.00 36.38 35.24 1rjr s VAL 253 CO -0.03 0.30 0.03 0.00 -0.31 0.00 0.00 175.10 175.10 1rjr s MET 254 N 1.41 2.71 0.00 4.82 0.23 -0.41 -4.67 119.30 123.39 1rjr s MET 254 Ca 0.01 -0.76 0.00 0.00 -1.03 0.00 0.00 55.69 53.92 1rjr s MET 254 Cb -0.15 -2.63 0.00 0.00 -1.53 0.00 0.00 34.83 30.52 1rjr s MET 254 CO -0.09 0.56 0.00 0.41 -2.03 0.00 0.00 175.02 173.86 1rjr n GLY 255 N 0.58 -0.20 0.39 3.16 0.00 -0.57 -4.45 105.19 104.10 1rjr n GLY 255 Ca -0.10 -1.36 0.17 0.00 0.00 0.00 0.00 46.02 44.72 1rjr n GLY 255 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjr h LYS 256 N 0.00 0.50 0.00 1.61 1.57 -1.95 0.14 116.57 118.44 1rjr h LYS 256 Ca 0.00 -0.03 0.00 0.00 -1.87 0.00 0.00 60.65 58.75 1rjr h LYS 256 Cb 0.00 -0.11 0.00 0.00 0.08 0.00 0.00 32.23 32.20 1rjr h LYS 256 CO 0.00 0.33 0.00 1.28 -0.57 0.00 0.00 179.45 180.49 1rjr n LEU 257 N -4.56 0.00 0.00 2.94 4.77 -1.26 -2.49 117.00 116.40 1rjr n LEU 257 Ca 0.20 0.25 0.00 0.00 -0.03 0.00 0.00 56.01 56.42 1rjr n LEU 257 Cb 0.63 -0.25 0.00 0.00 -2.33 0.00 0.00 43.42 41.48 1rjr n LEU 257 CO 0.29 -0.15 0.26 0.59 -1.33 0.00 0.00 177.39 177.05 1rjr n ASN 258 N -1.25 1.02 -4.74 -1.43 3.02 0.46 -5.00 115.26 107.35 1rjr n ASN 258 Ca 0.06 -1.05 -0.40 0.00 -0.03 0.00 0.00 54.58 53.16 1rjr n ASN 258 Cb 0.09 0.00 0.02 0.00 -0.61 0.00 0.00 39.78 39.28 1rjr n ASN 258 CO 0.00 0.00 0.00 0.49 -2.62 0.00 0.00 177.26 175.13 1rjr n PHE 259 N -0.02 2.44 0.00 3.10 3.72 -1.04 -1.45 117.46 124.21 1rjr n PHE 259 Ca 0.00 0.46 0.00 0.00 -0.05 0.00 0.00 57.45 57.86 1rjr n PHE 259 Cb 0.02 -2.42 0.00 0.00 -0.94 0.00 0.00 39.48 36.14 1rjr n PHE 259 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rjr n GLY 260 N 0.69 2.96 0.00 1.37 0.00 -1.26 -4.88 105.19 104.06 1rjr n GLY 260 Ca 0.06 0.00 0.09 0.00 0.00 0.00 0.00 46.02 46.17 1rjr n GLY 260 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjr n ARG 261 N -2.00 0.65 0.26 1.61 1.74 -0.53 -3.05 116.66 115.34 1rjr n ARG 261 Ca 0.00 0.00 0.12 0.00 -0.77 0.00 0.00 57.85 57.20 1rjr n ARG 261 Cb 0.00 -1.44 0.72 0.00 -1.02 0.00 0.00 32.46 30.72 1rjr n ARG 261 CO 0.00 0.00 0.00 0.66 -1.52 0.00 0.00 177.63 176.77 1rjr h SER 262 N 0.00 0.00 -0.21 0.55 4.64 -1.90 -1.56 113.55 115.07 1rjr h SER 262 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rjr h SER 262 Cb 0.00 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 62.08 1rjr h SER 262 CO 0.00 0.10 0.13 0.11 -0.87 0.00 0.00 176.83 176.31 1rjr h LYS 263 N 0.00 0.29 -0.37 4.77 1.57 -1.95 -0.69 116.57 120.20 1rjr h LYS 263 Ca -0.00 -0.03 -0.07 0.00 -1.87 0.00 0.00 60.65 58.68 1rjr h LYS 263 Cb 0.25 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.49 1rjr h LYS 263 CO 0.01 0.23 -0.04 1.49 -0.57 0.00 0.00 179.45 180.57 1rjr h GLU 264 N 0.27 0.68 -0.46 3.15 4.81 -1.64 -2.69 114.58 118.69 1rjr h GLU 264 Ca 0.08 -0.24 -0.11 0.00 -0.13 0.00 0.00 59.36 58.95 1rjr h GLU 264 Cb 0.01 -0.05 -0.01 0.00 0.63 0.00 0.00 28.75 29.33 1rjr h GLU 264 CO -0.01 0.81 -0.16 1.79 -0.73 0.00 0.00 179.01 180.71 1rjr h THR 265 N 0.49 1.27 0.00 0.32 1.35 -1.18 -2.34 112.91 112.82 1rjr h THR 265 Ca 0.10 -1.30 -0.07 0.00 -0.55 0.00 0.00 66.41 64.58 1rjr h THR 265 Cb 0.53 1.16 -0.01 0.00 -1.73 0.00 0.00 68.15 68.10 1rjr h THR 265 CO 0.03 0.45 -0.35 -0.07 -0.25 0.00 0.00 175.52 175.33 1rjr h LEU 266 N 0.75 0.00 -0.29 3.87 3.38 -1.16 -0.96 115.31 120.91 1rjr h LEU 266 Ca 0.11 0.00 -0.18 0.00 0.09 0.00 0.00 57.88 57.90 1rjr h LEU 266 Cb 0.72 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.47 1rjr h LEU 266 CO 0.06 0.35 -0.52 0.00 0.09 0.00 0.00 178.44 178.41 1rjr h ALA 267 N 1.65 0.45 -0.32 1.53 0.00 -1.28 0.34 119.26 121.64 1rjr h ALA 267 Ca -0.00 -0.51 -0.01 0.00 0.00 0.00 0.00 54.91 54.39 1rjr h ALA 267 Cb 0.64 -0.08 -0.01 0.00 0.00 0.00 0.00 17.79 18.34 1rjr h ALA 267 CO 0.05 0.65 0.17 -0.07 0.00 0.00 0.00 179.25 180.05 1rjr h LEU 268 N 0.64 0.40 -0.51 0.00 3.38 -0.88 -0.65 115.31 117.70 1rjr h LEU 268 Ca 0.02 -0.09 -0.04 0.00 0.09 0.00 0.00 57.88 57.86 1rjr h LEU 268 Cb 1.13 -0.10 -0.02 0.00 0.09 0.00 0.00 40.66 41.76 1rjr h LEU 268 CO 0.12 0.37 0.18 0.40 0.09 0.00 0.00 178.44 179.61 1rjr h ILE 269 N 0.39 1.22 -0.36 1.22 2.04 -1.14 -1.14 117.51 119.74 1rjr h ILE 269 Ca 0.11 -0.72 0.02 0.00 1.00 0.00 0.00 64.86 65.27 1rjr h ILE 269 Cb 0.07 0.73 -0.03 0.00 -0.74 0.00 0.00 36.82 36.85 1rjr h ILE 269 CO -0.02 0.27 0.20 -0.08 0.00 0.00 0.00 178.15 178.52 1rjr h GLU 270 N 0.69 0.39 -0.57 2.37 4.81 -0.70 -0.58 114.58 121.00 1rjr h GLU 270 Ca 0.17 -0.02 -0.01 0.00 -0.13 0.00 0.00 59.36 59.36 1rjr h GLU 270 Cb 0.24 -0.09 -0.03 0.00 0.63 0.00 0.00 28.75 29.50 1rjr h GLU 270 CO -0.01 0.26 0.32 0.00 -0.73 0.00 0.00 179.01 178.85 1rjr h ALA 271 N 1.17 0.73 -0.84 2.92 0.00 -0.84 -2.45 119.26 119.95 1rjr h ALA 271 Ca 0.15 -0.10 0.01 0.00 0.00 0.00 0.00 54.91 54.97 1rjr h ALA 271 Cb 0.03 -0.23 -0.04 0.00 0.00 0.00 0.00 17.79 17.55 1rjr h ALA 271 CO -0.08 0.25 0.54 0.00 0.00 0.00 0.00 179.25 179.96 1rjr h ALA 272 N 1.14 1.38 0.00 0.00 0.00 -0.69 -1.97 119.26 119.13 1rjr h ALA 272 Ca 0.20 -0.07 -0.01 0.00 0.00 0.00 0.00 54.91 55.04 1rjr h ALA 272 Cb 0.04 -0.34 -0.00 0.00 0.00 0.00 0.00 17.79 17.49 1rjr h ALA 272 CO -0.03 0.56 -0.03 0.52 0.00 0.00 0.00 179.25 180.27 1rjr h MET 273 N 1.14 0.00 0.00 0.00 2.07 -0.63 -0.09 114.93 117.42 1rjr h MET 273 Ca 0.30 0.00 -0.05 0.00 -2.07 0.00 0.00 59.70 57.89 1rjr h MET 273 Cb -0.11 0.00 -0.01 0.00 -1.87 0.00 0.00 31.60 29.61 1rjr h MET 273 CO -0.06 0.03 -0.22 0.00 1.07 0.00 0.00 176.91 177.73 1rjr h ALA 274 N 1.97 1.09 0.00 6.32 0.00 -1.24 -3.34 119.26 124.06 1rjr h ALA 274 Ca -0.00 -0.20 0.00 0.00 0.00 0.00 0.00 54.91 54.71 1rjr h ALA 274 Cb 0.08 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 17.83 1rjr h ALA 274 CO 0.00 0.28 -0.10 -1.13 0.00 0.00 0.00 179.25 178.30 1rjr n SER 275 N -3.49 0.47 -4.03 0.00 3.41 -0.57 -5.08 113.62 104.33 1rjr n SER 275 Ca -0.00 -0.46 -0.10 0.00 -0.26 0.00 0.00 58.87 58.05 1rjr n SER 275 Cb 0.39 1.00 -0.06 0.00 -0.26 0.00 0.00 64.21 65.28 1rjr n SER 275 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1rjr s GLN 276 N -1.11 1.49 -0.63 4.33 -2.07 -0.15 -5.12 119.66 116.40 1rjr s GLN 276 Ca 0.00 -1.33 -0.26 0.00 -1.82 0.00 0.00 55.36 51.96 1rjr s GLN 276 Cb 0.00 0.43 0.04 0.00 -1.09 0.00 0.00 33.01 32.40 1rjr s GLN 276 CO 0.01 -0.60 1.10 0.34 -1.32 0.00 0.00 175.29 174.82 1rjr s ASP 277 N -3.05 6.28 -0.03 12.60 -1.08 -1.26 -4.20 116.67 125.93 1rjr s ASP 277 Ca 0.26 -0.39 0.03 0.00 -0.52 0.00 0.00 52.55 51.93 1rjr s ASP 277 Cb 0.01 -2.50 -0.00 0.00 -1.46 0.00 0.00 42.92 38.97 1rjr s ASP 277 CO 0.10 -1.51 -0.12 -0.69 0.52 0.00 0.00 175.17 173.47 1rjr s VAL 278 N 4.73 1.04 0.18 1.11 1.01 -1.26 -1.46 120.40 125.75 1rjr s VAL 278 Ca 0.33 -0.51 0.02 0.00 0.00 0.00 0.00 61.98 61.82 1rjr s VAL 278 Cb -0.11 -0.90 -0.05 0.00 0.00 0.00 0.00 36.38 35.32 1rjr s VAL 278 CO 0.18 0.31 0.01 -0.44 0.00 0.00 0.00 175.10 175.16 1rjr s SER 279 N 0.07 1.21 0.14 3.32 0.01 -0.35 -4.90 113.70 113.21 1rjr s SER 279 Ca -0.02 -1.19 -0.18 0.00 1.31 0.00 0.00 55.95 55.86 1rjr s SER 279 Cb -0.09 0.12 0.05 0.00 0.21 0.00 0.00 66.02 66.31 1rjr s SER 279 CO 0.01 -0.58 0.48 -1.48 0.41 0.00 0.00 173.24 172.07 1rjr s LEU 280 N -3.19 0.06 0.20 2.44 2.34 -1.26 -0.65 118.68 118.61 1rjr s LEU 280 Ca 0.25 -0.24 -0.02 0.00 0.06 0.00 0.00 54.13 54.18 1rjr s LEU 280 Cb 0.06 2.11 -0.04 0.00 -0.56 0.00 0.00 46.19 47.77 1rjr s LEU 280 CO 0.05 -0.91 0.16 1.51 -1.06 0.00 0.00 176.35 176.10 1rjr s ASP 281 N -2.80 0.14 0.13 1.48 1.47 -1.03 -1.47 116.67 114.60 1rjr s ASP 281 Ca 0.03 -1.31 -0.24 0.00 1.18 0.00 0.00 52.55 52.21 1rjr s ASP 281 Cb 0.01 0.39 0.07 0.00 -0.34 0.00 0.00 42.92 43.05 1rjr s ASP 281 CO -0.11 -0.86 0.69 0.00 0.68 0.00 0.00 175.17 175.57 1rjr s ALA 282 N -4.13 -1.62 0.09 2.11 0.00 -0.74 -1.08 121.76 116.38 1rjr s ALA 282 Ca 0.35 0.54 0.03 0.00 0.00 0.00 0.00 51.96 52.88 1rjr s ALA 282 Cb 0.06 0.77 -0.04 0.00 0.00 0.00 0.00 23.12 23.91 1rjr s ALA 282 CO 0.10 -0.78 0.07 1.52 0.00 0.00 0.00 175.76 176.67 1rjr s TYR 283 N -3.60 3.16 -0.53 0.00 -0.85 -1.19 -1.80 117.35 112.53 1rjr s TYR 283 Ca 0.03 0.05 -0.06 0.00 -0.52 0.00 0.00 57.07 56.57 1rjr s TYR 283 Cb -0.01 -1.60 -0.12 0.00 0.38 0.00 0.00 41.96 40.61 1rjr s TYR 283 CO -0.10 0.52 3.19 -0.35 -1.52 0.00 0.00 175.55 177.28 1rjr n PRO 284 N 0.40 2.66 -3.98 -3.49 -0.04 -1.26 -4.92 135.00 124.37 1rjr n PRO 284 Ca -0.09 -1.78 -0.08 0.00 -0.04 0.00 0.00 63.50 61.52 1rjr n PRO 284 Cb 0.52 -2.24 -0.09 0.00 -0.04 0.00 0.00 33.50 31.65 1rjr n PRO 284 CO 0.00 0.00 0.00 0.71 -0.04 0.00 0.00 175.50 176.17 1rjr s TYR 285 N 0.35 0.34 -2.47 0.54 1.51 -1.26 -5.03 117.35 111.33 1rjr s TYR 285 Ca 0.64 -0.82 0.24 0.00 -1.01 0.00 0.00 57.07 56.12 1rjr s TYR 285 Cb 0.30 -0.23 0.73 0.00 -0.11 0.00 0.00 41.96 42.65 1rjr s TYR 285 CO -0.07 -0.45 1.55 1.33 -1.11 0.00 0.00 175.55 176.79 1rjr n VAL 286 N 0.07 0.16 -4.90 0.71 0.24 -1.26 -4.88 118.33 108.47 1rjr n VAL 286 Ca -0.15 -0.39 -0.28 0.00 -2.04 0.00 0.00 64.34 61.48 1rjr n VAL 286 Cb 0.62 0.64 -0.15 0.00 -1.47 0.00 0.00 33.84 33.48 1rjr n VAL 286 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1rjr s ALA 287 N -1.84 1.90 0.32 2.33 0.00 -1.26 -1.80 121.76 121.41 1rjr s ALA 287 Ca 0.34 -1.06 0.05 0.00 0.00 0.00 0.00 51.96 51.29 1rjr s ALA 287 Cb 0.20 -0.43 0.05 0.00 0.00 0.00 0.00 23.12 22.94 1rjr s ALA 287 CO 0.30 0.45 0.40 0.41 0.00 0.00 0.00 175.76 177.32 1rjr n GLY 288 N 2.13 2.15 3.64 0.00 0.00 0.45 -4.88 105.19 108.68 1rjr n GLY 288 Ca -0.16 -2.20 -0.04 0.00 0.00 0.00 0.00 46.02 43.62 1rjr n GLY 288 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1rjr s SER 289 N -2.97 -0.50 0.00 1.61 0.15 -1.26 -0.96 113.70 109.77 1rjr s SER 289 Ca 0.30 0.83 0.00 0.00 0.70 0.00 0.00 55.95 57.78 1rjr s SER 289 Cb -0.02 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.42 1rjr s SER 289 CO 0.19 -0.13 0.00 1.07 1.20 0.00 0.00 173.24 175.57 1rjr n THR 290 N 3.40 0.00 -1.25 6.45 5.66 -1.02 -5.02 114.28 122.50 1rjr n THR 290 Ca -0.17 0.00 -0.35 0.00 -3.05 0.00 0.00 64.05 60.48 1rjr n THR 290 Cb 0.57 0.00 0.10 0.00 -1.55 0.00 0.00 70.33 69.45 1rjr n THR 290 CO 0.00 0.00 0.00 1.15 -3.05 0.00 0.00 175.07 173.17 1rjr n MET 291 N 0.00 0.36 -2.46 1.09 0.00 -1.26 -1.31 117.12 113.53 1rjr n MET 291 Ca 0.00 0.18 -0.42 0.00 0.00 0.00 0.00 57.70 57.47 1rjr n MET 291 Cb 0.00 -2.23 -0.03 0.00 0.00 0.00 0.00 33.22 30.96 1rjr n MET 291 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 175.97 174.80 1rjr s LEU 292 N -3.44 4.38 -0.01 3.17 2.96 0.68 -4.48 118.68 121.94 1rjr s LEU 292 Ca 0.72 1.98 -0.03 0.00 -0.22 0.00 0.00 54.13 56.59 1rjr s LEU 292 Cb -0.32 -3.58 -0.00 0.00 0.50 0.00 0.00 46.19 42.78 1rjr s LEU 292 CO 0.52 -0.42 0.05 -0.75 -1.32 0.00 0.00 176.35 174.43 1rjr s LYS 293 N 0.89 0.23 -1.01 1.98 2.20 -1.26 -4.76 119.74 118.00 1rjr s LYS 293 Ca 0.57 -0.21 -0.23 0.00 -0.36 0.00 0.00 55.97 55.74 1rjr s LYS 293 Cb -0.28 0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.15 1rjr s LYS 293 CO 0.30 -0.04 1.62 -0.65 -0.36 0.00 0.00 175.35 176.21 1rjr s GLN 294 N -0.68 3.30 -0.09 4.03 -0.21 -1.26 -4.84 119.66 119.90 1rjr s GLN 294 Ca -0.08 -0.96 -0.02 0.00 0.02 0.00 0.00 55.36 54.33 1rjr s GLN 294 Cb -0.05 -5.29 0.03 0.00 1.00 0.00 0.00 33.01 28.71 1rjr s GLN 294 CO 0.00 -2.58 0.01 0.34 -2.12 0.00 0.00 175.29 170.94 1rjr s ASP 295 N 5.80 1.83 0.34 5.90 -1.08 -1.26 -5.03 116.67 123.16 1rjr s ASP 295 Ca 0.54 -0.22 0.09 0.00 -0.52 0.00 0.00 52.55 52.44 1rjr s ASP 295 Cb -0.02 -0.47 0.84 0.00 -1.46 0.00 0.00 42.92 41.81 1rjr s ASP 295 CO -0.06 -0.21 1.81 0.03 0.52 0.00 0.00 175.17 177.26 1rjr h ARG 296 N 8.31 0.65 0.01 4.34 2.47 -1.96 -1.91 114.38 126.29 1rjr h ARG 296 Ca -0.19 -0.04 -0.01 0.00 -1.26 0.00 0.00 59.98 58.48 1rjr h ARG 296 Cb 1.12 -0.15 0.00 0.00 -1.65 0.00 0.00 29.97 29.30 1rjr h ARG 296 CO 0.28 0.43 -0.06 0.28 0.56 0.00 0.00 179.97 181.46 1rjr h VAL 297 N 0.67 1.72 -0.94 2.04 2.07 -1.98 -3.08 116.25 116.76 1rjr h VAL 297 Ca 0.53 -2.20 0.10 0.00 0.82 0.00 0.00 66.70 65.94 1rjr h VAL 297 Cb 0.94 3.21 -0.07 0.00 -1.52 0.00 0.00 31.29 33.86 1rjr h VAL 297 CO -0.29 0.58 0.60 -0.07 0.02 0.00 0.00 177.57 178.40 1rjr h LEU 298 N -0.88 0.87 -0.95 2.57 3.38 -1.91 -2.17 115.31 116.23 1rjr h LEU 298 Ca -0.01 0.03 0.00 0.00 0.09 0.00 0.00 57.88 57.99 1rjr h LEU 298 Cb 0.98 -0.16 0.00 0.00 0.09 0.00 0.00 40.66 41.57 1rjr h LEU 298 CO 0.01 0.51 0.00 0.18 0.09 0.00 0.00 178.44 179.23 1rjr n LEU 299 N -4.54 1.38 -0.05 1.67 4.77 -0.73 -4.33 117.00 115.17 1rjr n LEU 299 Ca 0.16 -0.67 -0.14 0.00 -0.03 0.00 0.00 56.01 55.33 1rjr n LEU 299 Cb 0.29 -0.16 -0.07 0.00 -2.33 0.00 0.00 43.42 41.15 1rjr n LEU 299 CO 0.31 0.34 0.52 0.00 -1.33 0.00 0.00 177.39 177.22 1rjr h ALA 300 N 3.57 0.23 -3.21 -1.18 0.00 -1.29 -3.46 119.26 113.92 1rjr h ALA 300 Ca 0.00 -0.40 0.00 0.00 0.00 0.00 0.00 54.91 54.51 1rjr h ALA 300 Cb 0.36 -0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.11 1rjr h ALA 300 CO 0.00 0.23 0.00 0.41 0.00 0.00 0.00 179.25 179.89 1rjr n GLY 301 N 0.40 2.79 3.64 0.00 0.00 -1.26 -5.04 105.19 105.72 1rjr n GLY 301 Ca -0.07 -2.06 -0.47 0.00 0.00 0.00 0.00 46.02 43.42 1rjr n GLY 301 CO 0.00 0.00 0.00 -2.13 0.00 0.00 0.00 173.32 171.19 1rjr n ARG 302 N -0.18 1.76 -3.93 1.61 0.63 -1.26 -4.80 116.66 110.49 1rjr n ARG 302 Ca 0.00 0.63 -0.16 0.00 -0.92 0.00 0.00 57.85 57.40 1rjr n ARG 302 Cb 0.00 -2.28 -0.16 0.00 0.45 0.00 0.00 32.46 30.47 1rjr n ARG 302 CO 0.00 0.00 0.00 0.99 -2.51 0.00 0.00 177.63 176.11 1rjr s THR 303 N 0.22 0.16 0.04 5.15 2.01 -1.26 -1.19 115.64 120.77 1rjr s THR 303 Ca 0.74 0.06 0.09 0.00 0.31 0.00 0.00 61.69 62.89 1rjr s THR 303 Cb -0.74 -0.24 -0.03 0.00 0.01 0.00 0.00 72.50 71.50 1rjr s THR 303 CO 0.47 0.12 -0.25 -0.76 -0.69 0.00 0.00 174.62 173.51 1rjr s LEU 304 N 0.84 2.24 -0.15 4.42 1.43 -0.37 -0.56 118.68 126.53 1rjr s LEU 304 Ca -0.08 -0.55 -0.22 0.00 -1.03 0.00 0.00 54.13 52.25 1rjr s LEU 304 Cb -0.12 -1.33 -0.03 0.00 0.03 0.00 0.00 46.19 44.74 1rjr s LEU 304 CO -0.02 0.26 0.66 -0.63 0.23 0.00 0.00 176.35 176.86 1rjr s ILE 305 N -0.81 5.03 -0.14 -0.59 -1.09 -0.77 0.16 121.20 122.99 1rjr s ILE 305 Ca 0.12 1.29 0.18 0.00 -2.23 0.00 0.00 60.65 60.02 1rjr s ILE 305 Cb -0.10 -3.98 -0.13 0.00 -1.58 0.00 0.00 42.46 36.67 1rjr s ILE 305 CO 0.02 0.17 0.80 0.35 -1.23 0.00 0.00 174.94 175.05 1rjr n THR 306 N 4.30 1.01 -3.59 2.92 -2.24 -0.01 -0.36 114.28 116.31 1rjr n THR 306 Ca -0.01 -0.66 -0.04 0.00 -2.27 0.00 0.00 64.05 61.07 1rjr n THR 306 Cb 0.50 -0.60 -0.02 0.00 -2.10 0.00 0.00 70.33 68.12 1rjr n THR 306 CO 0.00 0.00 0.00 -1.66 -0.57 0.00 0.00 175.07 172.84 1rjr s TRP 307 N -3.03 -0.13 -0.28 4.78 1.48 -1.23 -1.55 118.94 118.98 1rjr s TRP 307 Ca -0.03 0.07 -0.09 0.00 -1.06 0.00 0.00 56.10 54.98 1rjr s TRP 307 Cb 0.09 0.52 0.12 0.00 -1.16 0.00 0.00 33.47 33.04 1rjr s TRP 307 CO 0.81 -0.24 0.59 0.00 -4.06 0.00 0.00 176.95 174.06 1rjr h LYS 309 N 8.04 -0.74 0.00 0.00 3.64 -1.25 -2.76 116.57 123.50 1rjr h LYS 309 Ca -0.18 0.05 -0.03 0.00 -1.27 0.00 0.00 60.65 59.22 1rjr h LYS 309 Cb 1.10 0.17 -0.00 0.00 -0.41 0.00 0.00 32.23 33.09 1rjr h LYS 309 CO 0.11 -0.43 -0.15 -1.00 -2.27 0.00 0.00 179.45 175.71 1rjr h PRO 310 N -0.99 0.00 -2.32 1.90 0.13 -1.78 -3.35 132.00 125.60 1rjr h PRO 310 Ca -0.08 0.00 -0.59 0.00 -0.87 0.00 0.00 66.00 64.47 1rjr h PRO 310 Cb 0.65 0.00 -0.38 0.00 0.13 0.00 0.00 31.00 31.39 1rjr h PRO 310 CO 0.13 0.15 -0.99 0.66 -0.23 0.00 0.00 178.00 177.72 1rjr n TYR 311 N -3.98 -0.64 0.14 1.56 4.01 -1.24 -4.98 117.16 112.04 1rjr n TYR 311 Ca -0.02 -3.40 0.18 0.00 -0.16 0.00 0.00 57.90 54.51 1rjr n TYR 311 Cb 0.24 0.11 0.78 0.00 -0.31 0.00 0.00 39.34 40.16 1rjr n TYR 311 CO 0.00 0.00 0.00 -1.35 -0.46 0.00 0.00 176.86 175.05 1rjr h PRO 312 N 5.30 0.00 0.00 -0.72 0.11 -1.63 -0.46 132.00 134.60 1rjr h PRO 312 Ca 0.23 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.34 1rjr h PRO 312 Cb 0.90 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.01 1rjr h PRO 312 CO 0.40 0.00 0.00 -0.85 -0.21 0.00 0.00 178.00 177.34 1rjr n GLU 313 N -3.87 0.42 0.00 1.05 0.00 -1.26 -2.40 120.64 114.59 1rjr n GLU 313 Ca 0.04 0.06 0.14 0.00 0.00 0.00 0.00 57.16 57.40 1rjr n GLU 313 Cb 0.45 -1.50 0.54 0.00 0.00 0.00 0.00 31.44 30.93 1rjr n GLU 313 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.13 178.41 1rjr n LEU 314 N -1.16 0.22 -4.69 -1.84 4.77 -0.18 -4.86 117.00 109.26 1rjr n LEU 314 Ca 0.12 0.26 -0.43 0.00 -0.03 0.00 0.00 56.01 55.92 1rjr n LEU 314 Cb 0.11 -0.36 -0.03 0.00 -2.33 0.00 0.00 43.42 40.81 1rjr n LEU 314 CO 0.13 0.05 1.39 -1.20 -1.33 0.00 0.00 177.39 176.42 1rjr n SER 315 N -1.37 3.79 0.00 -1.43 7.64 -1.01 -1.74 113.62 119.49 1rjr n SER 315 Ca 0.09 1.03 0.00 0.00 1.01 0.00 0.00 58.87 61.00 1rjr n SER 315 Cb 0.32 -1.52 0.00 0.00 -1.01 0.00 0.00 64.21 62.00 1rjr n SER 315 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1rjr n GLY 316 N 3.99 2.08 3.85 0.23 0.00 0.51 -5.01 105.19 110.83 1rjr n GLY 316 Ca 0.18 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.88 1rjr n GLY 316 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1rjr s ARG 317 N -0.65 3.83 0.03 1.61 0.52 -0.71 -4.73 118.95 118.85 1rjr s ARG 317 Ca 0.00 0.92 -0.30 0.00 -0.52 0.00 0.00 55.73 55.83 1rjr s ARG 317 Cb 0.00 -2.12 -0.04 0.00 0.52 0.00 0.00 34.95 33.31 1rjr s ARG 317 CO 0.00 -0.37 1.02 0.34 0.02 0.00 0.00 175.30 176.31 1rjr s ASP 318 N -3.32 7.33 0.26 0.23 -1.08 -1.26 -1.84 116.67 117.00 1rjr s ASP 318 Ca 0.58 1.75 -0.00 0.00 -0.52 0.00 0.00 52.55 54.36 1rjr s ASP 318 Cb -0.10 -2.58 0.35 0.00 -1.46 0.00 0.00 42.92 39.13 1rjr s ASP 318 CO 0.37 -0.27 1.73 0.25 0.52 0.00 0.00 175.17 177.77 1rjr h LEU 319 N 6.57 0.65 -0.53 -1.34 5.85 -1.18 -2.62 115.31 122.70 1rjr h LEU 319 Ca -0.41 -0.19 0.05 0.00 0.84 0.00 0.00 57.88 58.17 1rjr h LEU 319 Cb 1.22 -0.17 -0.05 0.00 0.37 0.00 0.00 40.66 42.03 1rjr h LEU 319 CO 0.76 0.80 0.27 -0.08 -0.34 0.00 0.00 178.44 179.85 1rjr h GLU 320 N 0.60 0.50 -0.33 1.25 4.57 -1.93 0.27 114.58 119.52 1rjr h GLU 320 Ca 0.10 -0.03 -0.01 0.00 -1.18 0.00 0.00 59.36 58.25 1rjr h GLU 320 Cb 0.57 -0.11 -0.02 0.00 -0.16 0.00 0.00 28.75 29.03 1rjr h GLU 320 CO 0.04 0.33 0.18 1.49 -1.18 0.00 0.00 179.01 179.87 1rjr h GLU 321 N 0.52 0.45 -0.52 1.92 4.81 -1.91 0.12 114.58 119.97 1rjr h GLU 321 Ca 0.24 -0.05 -0.00 0.00 -0.13 0.00 0.00 59.36 59.41 1rjr h GLU 321 Cb 0.15 -0.09 -0.02 0.00 0.63 0.00 0.00 28.75 29.42 1rjr h GLU 321 CO -0.17 0.38 0.31 0.82 -0.73 0.00 0.00 179.01 179.62 1rjr h ILE 322 N 0.41 1.16 -0.13 2.32 2.04 -0.98 -1.20 117.51 121.13 1rjr h ILE 322 Ca 0.12 -0.38 -0.01 0.00 1.00 0.00 0.00 64.86 65.58 1rjr h ILE 322 Cb 0.06 0.48 -0.01 0.00 -0.74 0.00 0.00 36.82 36.61 1rjr h ILE 322 CO -0.02 0.17 0.04 0.00 0.00 0.00 0.00 178.15 178.34 1rjr h ALA 323 N 1.14 0.17 -0.10 1.87 0.00 -0.13 -1.78 119.26 120.44 1rjr h ALA 323 Ca 0.19 -0.12 0.03 0.00 0.00 0.00 0.00 54.91 55.00 1rjr h ALA 323 Cb 0.01 -0.05 -0.03 0.00 0.00 0.00 0.00 17.79 17.72 1rjr h ALA 323 CO -0.03 -0.21 -0.08 0.00 0.00 0.00 0.00 179.25 178.93 1rjr h ALA 324 N 0.85 0.01 0.00 0.00 0.00 -0.64 0.18 119.26 119.67 1rjr h ALA 324 Ca 0.04 0.04 -0.01 0.00 0.00 0.00 0.00 54.91 54.99 1rjr h ALA 324 Cb 0.22 0.16 -0.00 0.00 0.00 0.00 0.00 17.79 18.17 1rjr h ALA 324 CO -0.00 -0.54 -0.03 0.93 0.00 0.00 0.00 179.25 179.62 1rjr h GLU 325 N -0.08 0.00 -0.33 0.00 5.08 -1.16 0.33 114.58 118.41 1rjr h GLU 325 Ca 0.07 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.43 1rjr h GLU 325 Cb 0.18 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.43 1rjr h GLU 325 CO -0.15 0.03 0.00 0.54 -1.00 0.00 0.00 179.01 178.43 1rjr n ARG 326 N -3.28 2.27 -2.41 2.33 1.74 -0.31 -4.96 116.66 112.04 1rjr n ARG 326 Ca -0.02 -1.91 -0.11 0.00 -0.77 0.00 0.00 57.85 55.03 1rjr n ARG 326 Cb 0.17 -1.47 0.01 0.00 -1.02 0.00 0.00 32.46 30.14 1rjr n ARG 326 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 1rjr n GLY 327 N 1.39 -0.03 3.26 -0.13 0.00 0.12 -5.03 105.19 104.77 1rjr n GLY 327 Ca 0.18 -0.36 -0.12 0.00 0.00 0.00 0.00 46.02 45.71 1rjr n GLY 327 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1rjr s LYS 328 N -4.82 1.31 0.66 1.61 1.02 0.42 -4.98 119.74 114.95 1rjr s LYS 328 Ca 0.07 -1.62 -0.11 0.00 0.02 0.00 0.00 55.97 54.33 1rjr s LYS 328 Cb -0.03 0.30 -0.02 0.00 -0.52 0.00 0.00 37.83 37.57 1rjr s LYS 328 CO 0.09 -0.45 1.05 -1.54 -0.92 0.00 0.00 175.35 173.58 1rjr s SER 329 N -3.16 5.85 0.21 2.83 1.04 -1.26 -3.38 113.70 115.82 1rjr s SER 329 Ca 0.37 1.38 -0.10 0.00 0.48 0.00 0.00 55.95 58.08 1rjr s SER 329 Cb 0.05 -2.33 0.24 0.00 0.10 0.00 0.00 66.02 64.08 1rjr s SER 329 CO 0.13 -1.11 1.79 0.11 0.98 0.00 0.00 173.24 175.15 1rjr h LYS 330 N -0.49 0.60 -0.37 4.02 1.57 -1.90 -1.17 116.57 118.82 1rjr h LYS 330 Ca -0.44 -0.04 0.07 0.00 -1.87 0.00 0.00 60.65 58.37 1rjr h LYS 330 Cb 1.21 -0.13 -0.06 0.00 0.08 0.00 0.00 32.23 33.33 1rjr h LYS 330 CO 0.62 0.39 0.00 -0.92 -0.57 0.00 0.00 179.45 178.97 1rjr h TYR 331 N 0.61 -0.02 0.00 -1.35 5.03 -1.92 -2.27 116.97 117.06 1rjr h TYR 331 Ca 0.29 0.03 -0.09 0.00 2.58 0.00 0.00 58.73 61.54 1rjr h TYR 331 Cb 0.22 0.06 -0.01 0.00 1.55 0.00 0.00 36.73 38.55 1rjr h TYR 331 CO -0.09 -0.07 -0.42 -0.44 -1.32 0.00 0.00 178.16 175.81 1rjr h ASP 332 N 0.11 0.00 1.70 -2.11 3.32 -1.76 -3.20 116.42 114.48 1rjr h ASP 332 Ca 0.18 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.23 1rjr h ASP 332 Cb 0.25 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.80 1rjr h ASP 332 CO -0.30 0.42 0.00 1.62 -1.72 0.00 0.00 179.24 179.26 1rjr h VAL 333 N 0.00 0.00 -0.41 -1.35 3.04 -0.66 -3.37 116.25 113.50 1rjr h VAL 333 Ca -0.00 -0.70 0.06 0.00 -1.01 0.00 0.00 66.70 65.05 1rjr h VAL 333 Cb 0.94 1.70 -0.06 0.00 -2.01 0.00 0.00 31.29 31.86 1rjr h VAL 333 CO 0.06 0.00 0.08 0.58 -1.01 0.00 0.00 177.57 177.28 1rjr h VAL 334 N 0.00 0.78 -0.83 1.51 2.07 -1.47 -3.07 116.25 115.24 1rjr h VAL 334 Ca 0.00 -0.07 0.11 0.00 0.82 0.00 0.00 66.70 67.56 1rjr h VAL 334 Cb 0.85 0.56 -0.08 0.00 -1.52 0.00 0.00 31.29 31.10 1rjr h VAL 334 CO 0.00 0.04 0.46 -0.65 0.02 0.00 0.00 177.57 177.44 1rjr h PRO 335 N 0.21 0.71 0.00 1.57 0.11 -1.81 -0.73 132.00 132.06 1rjr h PRO 335 Ca 0.20 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 66.27 1rjr h PRO 335 Cb 0.24 -0.16 0.00 0.00 0.11 0.00 0.00 31.00 31.19 1rjr h PRO 335 CO -0.26 0.47 0.00 -0.85 -0.21 0.00 0.00 178.00 177.15 1rjr n GLU 336 N -4.79 0.18 0.00 1.05 0.28 -1.16 -2.76 120.64 113.45 1rjr n GLU 336 Ca 0.15 0.12 0.08 0.00 -0.16 0.00 0.00 57.16 57.35 1rjr n GLU 336 Cb 0.34 -1.50 -0.08 0.00 1.43 0.00 0.00 31.44 31.62 1rjr n GLU 336 CO 0.00 0.00 0.00 1.28 -0.16 0.00 0.00 177.13 178.25 1rjr n LEU 337 N -1.36 0.93 -4.80 -1.84 4.77 -0.31 -4.95 117.00 109.43 1rjr n LEU 337 Ca 0.08 -0.53 -0.34 0.00 -0.03 0.00 0.00 56.01 55.19 1rjr n LEU 337 Cb 0.19 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.24 1rjr n LEU 337 CO 0.16 0.22 0.71 -1.10 -1.33 0.00 0.00 177.39 176.05 1rjr s GLN 338 N -2.54 3.83 0.34 3.23 -0.21 -1.03 -4.05 119.66 119.23 1rjr s GLN 338 Ca 0.08 1.31 -0.20 0.00 0.02 0.00 0.00 55.36 56.57 1rjr s GLN 338 Cb 0.13 -2.10 -0.10 0.00 1.00 0.00 0.00 33.01 31.94 1rjr s GLN 338 CO 0.67 -0.40 0.84 -1.25 -2.12 0.00 0.00 175.29 173.03 1rjr s PRO 339 N -3.30 4.23 0.32 2.91 0.04 -1.26 -4.60 135.00 133.34 1rjr s PRO 339 Ca 0.66 0.97 -0.16 0.00 0.04 0.00 0.00 61.00 62.52 1rjr s PRO 339 Cb -0.15 -2.50 0.03 0.00 0.04 0.00 0.00 34.50 31.91 1rjr s PRO 339 CO 0.20 0.16 0.67 0.00 0.04 0.00 0.00 177.00 178.08 1rjr s ALA 340 N -1.89 -0.66 0.23 8.56 0.00 -1.26 -0.92 121.76 125.81 1rjr s ALA 340 Ca 0.54 -0.70 0.10 0.00 0.00 0.00 0.00 51.96 51.90 1rjr s ALA 340 Cb -0.13 0.86 -0.05 0.00 0.00 0.00 0.00 23.12 23.81 1rjr s ALA 340 CO 0.18 -0.96 -0.17 0.20 0.00 0.00 0.00 175.76 175.00 1rjr s GLY 341 N -3.02 1.60 0.20 0.00 0.00 -0.02 -0.23 107.32 105.84 1rjr s GLY 341 Ca 0.17 -1.72 -0.14 0.00 0.00 0.00 0.00 44.72 43.03 1rjr s GLY 341 CO 0.10 -1.80 0.45 0.00 0.00 0.00 0.00 173.10 171.85 1rjr s ALA 342 N -2.62 -0.54 -0.11 3.20 0.00 -0.43 -0.83 121.76 120.43 1rjr s ALA 342 Ca 0.24 -0.54 0.02 0.00 0.00 0.00 0.00 51.96 51.68 1rjr s ALA 342 Cb -0.03 0.90 -0.01 0.00 0.00 0.00 0.00 23.12 23.97 1rjr s ALA 342 CO 0.10 -0.78 -0.18 0.42 0.00 0.00 0.00 175.76 175.33 1rjr s ILE 343 N -3.93 2.67 -0.21 0.00 1.01 0.12 -2.42 121.20 118.45 1rjr s ILE 343 Ca 0.14 -0.81 0.01 0.00 0.00 0.00 0.00 60.65 59.99 1rjr s ILE 343 Cb 0.00 -2.07 0.03 0.00 0.01 0.00 0.00 42.46 40.43 1rjr s ILE 343 CO 0.01 0.55 -0.16 -0.31 0.00 0.00 0.00 174.94 175.02 1rjr s TYR 344 N 0.19 2.93 -1.12 3.97 2.02 -0.13 -1.24 117.35 123.97 1rjr s TYR 344 Ca -0.10 -1.81 -0.16 0.00 -0.37 0.00 0.00 57.07 54.63 1rjr s TYR 344 Cb -0.16 -1.94 0.14 0.00 -0.40 0.00 0.00 41.96 39.60 1rjr s TYR 344 CO 0.06 -0.82 1.38 -0.06 -1.57 0.00 0.00 175.55 174.54 1rjr s PHE 345 N 1.25 3.23 -0.10 2.71 0.40 -0.34 -0.41 117.98 124.72 1rjr s PHE 345 Ca 0.01 -1.76 0.14 0.00 -0.60 0.00 0.00 56.93 54.72 1rjr s PHE 345 Cb -0.15 -4.39 0.28 0.00 0.51 0.00 0.00 43.02 39.27 1rjr s PHE 345 CO -0.10 -1.51 1.14 0.00 0.70 0.00 0.00 175.22 175.44 1rjr n MET 346 N 6.48 0.84 -4.41 0.44 0.00 -1.20 -4.32 117.12 114.95 1rjr n MET 346 Ca 0.34 -2.30 -0.21 0.00 0.00 0.00 0.00 57.70 55.53 1rjr n MET 346 Cb 0.46 -1.03 -0.10 0.00 0.00 0.00 0.00 33.22 32.54 1rjr n MET 346 CO 0.00 0.00 0.00 -1.64 0.00 0.00 0.00 175.97 174.33 1rjr s MET 347 N -1.80 1.50 -0.12 3.17 -1.94 -0.75 -1.51 119.30 117.86 1rjr s MET 347 Ca 0.27 -1.73 -0.00 0.00 -1.71 0.00 0.00 55.69 52.52 1rjr s MET 347 Cb 0.26 -1.21 -0.02 0.00 2.01 0.00 0.00 34.83 35.87 1rjr s MET 347 CO -0.04 0.11 -0.11 0.34 -0.01 0.00 0.00 175.02 175.31 1rjr s ASP 348 N -3.41 4.21 0.28 3.03 2.15 -1.26 -4.83 116.67 116.83 1rjr s ASP 348 Ca 0.27 -0.24 0.01 0.00 0.43 0.00 0.00 52.55 53.02 1rjr s ASP 348 Cb 0.02 -1.48 0.67 0.00 -0.30 0.00 0.00 42.92 41.82 1rjr s ASP 348 CO 0.11 0.21 1.65 -0.08 -0.17 0.00 0.00 175.17 176.88 1rjr h GLU 349 N 6.36 0.19 -0.89 4.34 4.57 -1.96 -1.17 114.58 126.02 1rjr h GLU 349 Ca -0.32 -0.01 0.04 0.00 -1.18 0.00 0.00 59.36 57.89 1rjr h GLU 349 Cb 1.20 -0.04 -0.05 0.00 -0.16 0.00 0.00 28.75 29.69 1rjr h GLU 349 CO 0.56 0.13 0.59 -1.35 -1.18 0.00 0.00 179.01 177.75 1rjr h PRO 350 N 0.20 1.08 -0.33 0.92 0.11 -1.99 0.83 132.00 132.82 1rjr h PRO 350 Ca 0.53 -0.06 -0.11 0.00 0.11 0.00 0.00 66.00 66.46 1rjr h PRO 350 Cb 1.05 -0.24 -0.01 0.00 0.11 0.00 0.00 31.00 31.91 1rjr h PRO 350 CO -0.66 0.71 -0.24 -0.44 -0.21 0.00 0.00 178.00 177.17 1rjr h ASP 351 N 1.11 0.78 -0.58 -2.05 3.32 -1.64 -1.69 116.42 115.66 1rjr h ASP 351 Ca 0.36 -0.44 -0.01 0.00 0.02 0.00 0.00 57.03 56.95 1rjr h ASP 351 Cb 0.03 -0.22 -0.03 0.00 0.22 0.00 0.00 39.33 39.34 1rjr h ASP 351 CO -0.11 1.05 0.31 0.58 -1.72 0.00 0.00 179.24 179.36 1rjr h VAL 352 N 0.51 1.19 -0.47 -1.35 2.07 -0.89 0.00 116.25 117.32 1rjr h VAL 352 Ca 0.06 -0.49 -0.03 0.00 0.82 0.00 0.00 66.70 67.06 1rjr h VAL 352 Cb 0.80 0.46 -0.02 0.00 -1.52 0.00 0.00 31.29 31.01 1rjr h VAL 352 CO 0.06 0.21 0.16 1.56 0.02 0.00 0.00 177.57 179.58 1rjr h GLN 353 N 0.79 0.72 -0.16 1.57 4.20 -0.82 -0.56 115.11 120.84 1rjr h GLN 353 Ca 0.20 -0.15 0.01 0.00 0.06 0.00 0.00 58.65 58.77 1rjr h GLN 353 Cb 0.05 -0.11 -0.01 0.00 0.30 0.00 0.00 27.48 27.71 1rjr h GLN 353 CO -0.03 0.68 0.09 -0.09 -0.67 0.00 0.00 178.83 178.80 1rjr h ARG 354 N 0.62 0.18 -0.24 1.46 2.43 -0.99 -0.07 114.38 117.77 1rjr h ARG 354 Ca 0.15 -0.01 -0.00 0.00 -0.81 0.00 0.00 59.98 59.31 1rjr h ARG 354 Cb 0.25 -0.04 -0.01 0.00 -0.42 0.00 0.00 29.97 29.75 1rjr h ARG 354 CO -0.01 0.12 0.14 0.82 -1.51 0.00 0.00 179.97 179.54 1rjr h ILE 355 N 0.19 1.09 -0.49 1.20 2.04 -0.85 -0.71 117.51 119.99 1rjr h ILE 355 Ca 0.06 -0.22 0.01 0.00 1.00 0.00 0.00 64.86 65.71 1rjr h ILE 355 Cb -0.00 0.81 -0.02 0.00 -0.74 0.00 0.00 36.82 36.86 1rjr h ILE 355 CO -0.03 0.09 0.32 -0.07 0.00 0.00 0.00 178.15 178.46 1rjr h LEU 356 N 0.30 0.55 -1.17 1.44 3.38 -0.85 -2.78 115.31 116.18 1rjr h LEU 356 Ca 0.09 -0.01 -0.09 0.00 0.09 0.00 0.00 57.88 57.96 1rjr h LEU 356 Cb 0.02 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.62 1rjr h LEU 356 CO -0.02 0.40 -0.41 0.00 0.09 0.00 0.00 178.44 178.51 1rjr h ALA 357 N 1.18 1.27 -1.46 1.53 0.00 -0.82 -3.44 119.26 117.52 1rjr h ALA 357 Ca 0.18 -0.37 -0.75 0.00 0.00 0.00 0.00 54.91 53.97 1rjr h ALA 357 Cb -0.07 -0.06 0.02 0.00 0.00 0.00 0.00 17.79 17.68 1rjr h ALA 357 CO -0.04 0.51 0.72 0.34 0.00 0.00 0.00 179.25 180.78 1rjr n PHE 358 N -3.96 1.81 0.00 0.00 7.35 -0.29 -4.84 117.46 117.53 1rjr n PHE 358 Ca -0.02 0.68 0.00 0.00 -0.76 0.00 0.00 57.45 57.36 1rjr n PHE 358 Cb 0.45 -2.37 0.00 0.00 0.35 0.00 0.00 39.48 37.90 1rjr n PHE 358 CO 0.00 0.00 0.00 0.41 -0.76 0.00 0.00 176.76 176.41 1rjr n GLY 359 N 3.65 -1.39 0.00 7.13 0.00 -1.26 -1.64 105.19 111.68 1rjr n GLY 359 Ca 0.25 0.28 0.05 0.00 0.00 0.00 0.00 46.02 46.60 1rjr n GLY 359 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1rjr n PRO 360 N -1.57 0.16 -2.00 1.61 -0.02 -1.26 -4.85 135.00 127.08 1rjr n PRO 360 Ca 0.00 0.17 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 1rjr n PRO 360 Cb 0.00 -1.50 -0.03 0.00 -0.02 0.00 0.00 33.50 31.95 1rjr n PRO 360 CO 0.00 0.00 0.00 0.99 1.98 0.00 0.00 175.50 178.47 1rjr s THR 361 N -2.48 3.56 0.52 3.45 2.01 -0.65 -4.50 115.64 117.56 1rjr s THR 361 Ca 0.10 0.67 -0.06 0.00 0.31 0.00 0.00 61.69 62.71 1rjr s THR 361 Cb 0.06 -3.46 -0.02 0.00 0.01 0.00 0.00 72.50 69.09 1rjr s THR 361 CO 0.14 -0.09 0.83 -0.04 -0.69 0.00 0.00 174.62 174.77 1rjr s MET 362 N 4.21 3.38 -0.17 4.92 -1.94 -0.54 -4.85 119.30 124.30 1rjr s MET 362 Ca 0.74 0.18 -0.13 0.00 -1.71 0.00 0.00 55.69 54.78 1rjr s MET 362 Cb -0.32 -2.33 -0.05 0.00 2.01 0.00 0.00 34.83 34.14 1rjr s MET 362 CO 0.30 -0.36 0.25 0.42 -0.01 0.00 0.00 175.02 175.62 1rjr s ILE 363 N -2.84 5.33 -0.01 2.53 -1.09 -0.85 -1.80 121.20 122.47 1rjr s ILE 363 Ca 0.50 0.46 -0.00 0.00 -2.23 0.00 0.00 60.65 59.37 1rjr s ILE 363 Cb -0.10 -3.59 0.02 0.00 -1.58 0.00 0.00 42.46 37.20 1rjr s ILE 363 CO 0.46 0.39 0.02 -0.83 -1.23 0.00 0.00 174.94 173.75 1rjr s GLY 364 N 0.48 0.04 0.08 6.18 0.00 -0.75 -3.12 107.32 110.24 1rjr s GLY 364 Ca 0.14 0.18 -0.08 0.00 0.00 0.00 0.00 44.72 44.96 1rjr s GLY 364 CO 0.03 0.37 1.17 1.48 0.00 0.00 0.00 173.10 176.15 1rjr h SER 365 N 6.72 0.64 -2.49 1.64 4.64 -1.84 -3.15 113.55 119.70 1rjr h SER 365 Ca -0.35 -0.59 -0.39 0.00 -0.47 0.00 0.00 61.79 59.99 1rjr h SER 365 Cb 1.17 -0.20 -0.04 0.00 -0.31 0.00 0.00 62.40 63.01 1rjr h SER 365 CO 0.49 1.42 -0.48 0.00 -0.87 0.00 0.00 176.83 177.39 1rjr n ALA 366 N -2.60 -0.53 -1.77 5.18 0.00 0.56 -4.69 120.51 116.67 1rjr n ALA 366 Ca -0.10 0.18 -0.39 0.00 0.00 0.00 0.00 53.44 53.13 1rjr n ALA 366 Cb 0.96 -2.06 -0.00 0.00 0.00 0.00 0.00 19.45 18.34 1rjr n ALA 366 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rjr s GLY 367 N -2.23 2.88 -0.57 0.00 0.00 -1.26 -4.91 107.32 101.24 1rjr s GLY 367 Ca 0.00 1.14 0.01 0.00 0.00 0.00 0.00 44.72 45.87 1rjr s GLY 367 CO 0.00 1.68 0.34 1.08 0.00 0.00 0.00 173.10 176.20 1rjr s LEU 368 N -2.65 4.74 0.51 0.66 1.43 -1.26 -3.74 118.68 118.36 1rjr s LEU 368 Ca 0.59 -2.93 0.34 0.00 -1.03 0.00 0.00 54.13 51.10 1rjr s LEU 368 Cb -0.35 -1.74 1.67 0.00 0.03 0.00 0.00 46.19 45.80 1rjr s LEU 368 CO 0.44 -0.29 2.03 1.55 0.23 0.00 0.00 176.35 180.31 1rjr h PRO 369 N 6.75 0.00 -0.00 1.29 0.13 -1.89 -2.83 132.00 135.45 1rjr h PRO 369 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 1rjr h PRO 369 Cb 0.92 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.05 1rjr h PRO 369 CO 0.70 0.00 -0.42 0.72 -0.23 0.00 0.00 178.00 178.76 1rjr n HIS 370 N -2.80 0.00 -1.90 1.56 8.25 -1.26 -4.93 115.22 114.14 1rjr n HIS 370 Ca -0.01 0.00 -0.42 0.00 -0.26 0.00 0.00 57.72 57.03 1rjr n HIS 370 Cb 0.16 -0.24 -0.02 0.00 1.12 0.00 0.00 29.99 31.01 1rjr n HIS 370 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 1rjr s ASP 371 N -2.89 6.53 0.10 0.41 1.11 -1.07 -4.93 116.67 115.93 1rjr s ASP 371 Ca 0.14 2.74 -0.23 0.00 0.18 0.00 0.00 52.55 55.38 1rjr s ASP 371 Cb 0.18 -2.61 -0.11 0.00 1.07 0.00 0.00 42.92 41.45 1rjr s ASP 371 CO 0.65 -0.83 1.72 -0.08 1.18 0.00 0.00 175.17 177.81 1rjr h GLU 372 N 5.88 -0.06 -3.04 8.23 4.57 -1.90 -3.29 114.58 124.96 1rjr h GLU 372 Ca -0.45 0.00 -0.62 0.00 -1.18 0.00 0.00 59.36 57.12 1rjr h GLU 372 Cb 1.21 0.01 -0.41 0.00 -0.16 0.00 0.00 28.75 29.40 1rjr h GLU 372 CO 0.85 -0.04 -0.65 1.03 -1.18 0.00 0.00 179.01 179.03 1rjr s ARG 373 N -6.18 2.08 0.86 1.92 1.81 -0.59 -5.07 118.95 113.78 1rjr s ARG 373 Ca -0.13 -2.95 -0.11 0.00 -1.72 0.00 0.00 55.73 50.81 1rjr s ARG 373 Cb 0.07 -3.06 0.11 0.00 -0.45 0.00 0.00 34.95 31.62 1rjr s ARG 373 CO 0.67 -1.26 1.09 -1.25 -0.68 0.00 0.00 175.30 173.87 1rjr s PRO 374 N -0.90 1.53 0.18 3.54 0.04 -1.24 -4.49 135.00 133.65 1rjr s PRO 374 Ca 0.24 0.98 -0.30 0.00 0.04 0.00 0.00 61.00 61.96 1rjr s PRO 374 Cb -0.09 -1.83 -0.08 0.00 0.04 0.00 0.00 34.50 32.54 1rjr s PRO 374 CO -0.13 -2.10 1.18 -1.58 0.04 0.00 0.00 177.00 174.42 1rjr s HIS 375 N -2.90 3.45 0.02 0.56 5.65 -1.26 -4.70 115.29 116.12 1rjr s HIS 375 Ca 0.63 1.45 0.24 0.00 0.25 0.00 0.00 55.06 57.63 1rjr s HIS 375 Cb -0.18 -3.41 1.32 0.00 -1.18 0.00 0.00 32.58 29.13 1rjr s HIS 375 CO 0.57 -1.11 1.72 -1.00 -0.65 0.00 0.00 174.74 174.28 1rjr h PRO 376 N 5.23 0.00 -0.39 2.88 0.13 -1.81 -2.61 132.00 135.43 1rjr h PRO 376 Ca -0.44 0.00 0.11 0.00 -0.87 0.00 0.00 66.00 64.80 1rjr h PRO 376 Cb 1.21 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.33 1rjr h PRO 376 CO 0.74 0.00 0.38 0.07 -0.23 0.00 0.00 178.00 178.96 1rjr h ARG 377 N 0.00 0.00 -0.19 0.86 0.11 -1.89 0.69 114.38 113.97 1rjr h ARG 377 Ca 0.00 0.00 0.04 0.00 0.10 0.00 0.00 59.98 60.12 1rjr h ARG 377 Cb 0.14 0.00 -0.01 0.00 1.11 0.00 0.00 29.97 31.21 1rjr h ARG 377 CO 0.00 0.00 0.13 1.25 0.10 0.00 0.00 179.97 181.45 1rjr h LEU 378 N 0.00 0.06 0.00 0.08 5.85 -1.74 -2.99 115.31 116.58 1rjr h LEU 378 Ca 0.19 -0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.90 1rjr h LEU 378 Cb 0.94 -0.01 0.00 0.00 0.37 0.00 0.00 40.66 41.95 1rjr h LEU 378 CO -0.00 0.04 -0.15 0.79 -0.34 0.00 0.00 178.44 178.78 1rjr n TRP 379 N -4.49 0.00 -0.10 1.25 7.02 0.08 -4.53 117.44 116.66 1rjr n TRP 379 Ca 0.01 0.00 0.00 0.00 -1.02 0.00 0.00 57.50 56.49 1rjr n TRP 379 Cb 0.22 -0.00 0.00 0.00 -2.42 0.00 0.00 31.31 29.11 1rjr n TRP 379 CO 0.00 0.00 0.00 0.41 -2.02 0.00 0.00 177.69 176.08 1rjr n GLY 380 N 1.19 -0.72 0.45 6.99 0.00 -0.30 -4.45 105.19 108.34 1rjr n GLY 380 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 46.02 45.88 1rjr n GLY 380 CO 0.00 0.00 0.00 -0.84 0.00 0.00 0.00 173.32 172.48 1rjr h THR 381 N 0.10 0.00 -0.24 2.61 2.02 -1.73 -1.22 112.91 114.45 1rjr h THR 381 Ca 0.00 0.00 -0.05 0.00 0.77 0.00 0.00 66.41 67.13 1rjr h THR 381 Cb 0.05 0.00 -0.01 0.00 -1.74 0.00 0.00 68.15 66.45 1rjr h THR 381 CO 0.00 0.00 -0.04 -0.26 0.37 0.00 0.00 175.52 175.59 1rjr h PHE 382 N -0.44 0.50 0.00 3.16 0.04 -1.88 -2.81 116.94 115.52 1rjr h PHE 382 Ca 0.06 -0.10 -0.05 0.00 2.80 0.00 0.00 57.97 60.68 1rjr h PHE 382 Cb 0.60 -0.13 -0.01 0.00 2.20 0.00 0.00 35.95 38.62 1rjr h PHE 382 CO -0.69 0.66 -0.24 -1.35 -0.60 0.00 0.00 178.31 176.09 1rjr h PRO 383 N 0.20 0.00 -0.32 1.51 0.11 -1.79 -2.16 132.00 129.55 1rjr h PRO 383 Ca 0.06 0.00 -0.07 0.00 0.11 0.00 0.00 66.00 66.11 1rjr h PRO 383 Cb 0.48 0.00 -0.02 0.00 0.11 0.00 0.00 31.00 31.58 1rjr h PRO 383 CO 0.02 0.24 -0.08 -0.09 -0.21 0.00 0.00 178.00 177.88 1rjr h ARG 384 N 0.00 0.53 -0.05 1.05 2.43 -1.03 0.19 114.38 117.51 1rjr h ARG 384 Ca -0.00 -0.14 -0.18 0.00 -0.81 0.00 0.00 59.98 58.85 1rjr h ARG 384 Cb 0.52 -0.06 0.01 0.00 -0.42 0.00 0.00 29.97 30.02 1rjr h ARG 384 CO 0.03 0.62 -0.67 0.28 -1.51 0.00 0.00 179.97 178.72 1rjr h VAL 385 N 0.50 1.36 -0.37 0.20 2.07 -1.16 -1.71 116.25 117.14 1rjr h VAL 385 Ca 0.10 -2.02 -0.16 0.00 0.82 0.00 0.00 66.70 65.44 1rjr h VAL 385 Cb 0.45 2.37 -0.01 0.00 -1.52 0.00 0.00 31.29 32.57 1rjr h VAL 385 CO 0.02 0.61 -0.38 -0.07 0.02 0.00 0.00 177.57 177.77 1rjr h LEU 386 N 0.13 0.96 0.00 2.57 3.38 -1.21 -0.51 115.31 120.62 1rjr h LEU 386 Ca -0.07 -0.43 0.00 0.00 0.09 0.00 0.00 57.88 57.47 1rjr h LEU 386 Cb 1.34 -0.27 0.00 0.00 0.09 0.00 0.00 40.66 41.82 1rjr h LEU 386 CO 0.13 1.22 0.00 0.61 0.09 0.00 0.00 178.44 180.50 1rjr n GLY 387 N 0.10 -0.38 0.46 0.83 0.00 0.65 -3.01 105.19 103.84 1rjr n GLY 387 Ca -0.02 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.84 1rjr n GLY 387 CO 0.00 0.00 0.00 0.84 0.00 0.00 0.00 173.32 174.16 1rjr h HIS 388 N 0.00 -1.41 0.07 1.61 -0.00 -1.62 0.13 115.15 113.93 1rjr h HIS 388 Ca 0.00 0.04 -0.00 0.00 -0.00 0.00 0.00 60.37 60.40 1rjr h HIS 388 Cb 0.00 0.60 0.00 0.00 -0.00 0.00 0.00 27.41 28.01 1rjr h HIS 388 CO 0.00 -0.57 -0.03 1.88 -0.00 0.00 0.00 177.93 179.21 1rjr h TYR 389 N -0.72 -0.09 0.29 5.26 0.05 -1.38 -0.12 116.97 120.27 1rjr h TYR 389 Ca 0.01 -0.00 -0.01 0.00 0.05 0.00 0.00 58.73 58.77 1rjr h TYR 389 Cb 0.73 0.03 0.00 0.00 1.01 0.00 0.00 36.73 38.51 1rjr h TYR 389 CO -0.43 0.45 -0.14 1.03 -1.05 0.00 0.00 178.16 178.02 1rjr h SER 390 N -0.70 -0.33 0.36 3.88 0.87 -1.17 0.32 113.55 116.77 1rjr h SER 390 Ca -0.01 0.01 -0.02 0.00 -1.23 0.00 0.00 61.79 60.54 1rjr h SER 390 Cb 0.57 0.09 0.00 0.00 -0.44 0.00 0.00 62.40 62.62 1rjr h SER 390 CO 0.02 -0.04 -0.18 -0.09 -0.53 0.00 0.00 176.83 176.01 1rjr h ARG 391 N -0.79 -0.47 -0.14 2.24 2.43 -1.25 -0.10 114.38 116.30 1rjr h ARG 391 Ca -0.04 0.03 -0.21 0.00 -0.81 0.00 0.00 59.98 58.95 1rjr h ARG 391 Cb 0.30 0.11 0.01 0.00 -0.42 0.00 0.00 29.97 29.97 1rjr h ARG 391 CO 0.07 -0.15 -0.76 -0.44 -1.51 0.00 0.00 179.97 177.17 1rjr h ASP 392 N -0.92 0.84 -0.00 -3.80 3.32 -0.57 -3.31 116.42 111.97 1rjr h ASP 392 Ca -0.05 -0.55 0.00 0.00 0.02 0.00 0.00 57.03 56.45 1rjr h ASP 392 Cb 0.54 -0.25 0.00 0.00 0.22 0.00 0.00 39.33 39.84 1rjr h ASP 392 CO 0.08 1.33 -0.84 0.18 -1.72 0.00 0.00 179.24 178.28 1rjr n LEU 393 N -3.92 1.27 -3.64 1.55 4.77 -0.07 -4.99 117.00 111.96 1rjr n LEU 393 Ca -0.07 -0.57 -0.24 0.00 -0.03 0.00 0.00 56.01 55.10 1rjr n LEU 393 Cb 0.73 0.00 0.07 0.00 -2.33 0.00 0.00 43.42 41.89 1rjr n LEU 393 CO 0.52 0.28 0.17 0.61 -1.33 0.00 0.00 177.39 177.63 1rjr n GLY 394 N 1.46 -0.48 0.22 -0.72 0.00 -0.05 -4.88 105.19 100.74 1rjr n GLY 394 Ca 0.05 0.20 0.09 0.00 0.00 0.00 0.00 46.02 46.37 1rjr n GLY 394 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1rjr h LEU 395 N -2.36 0.00 -7.00 0.99 5.85 -1.08 -3.46 115.31 108.25 1rjr h LEU 395 Ca -0.58 0.00 0.11 0.00 0.84 0.00 0.00 57.88 58.25 1rjr h LEU 395 Cb 1.36 0.00 -0.17 0.00 0.37 0.00 0.00 40.66 42.23 1rjr h LEU 395 CO 0.57 0.24 0.52 0.72 -0.34 0.00 0.00 178.44 180.16 1rjr s PHE 396 N -3.58 -0.34 0.68 1.25 -0.12 -1.26 -4.90 117.98 109.71 1rjr s PHE 396 Ca 0.01 0.28 -0.14 0.00 -0.05 0.00 0.00 56.93 57.03 1rjr s PHE 396 Cb 0.10 0.52 0.01 0.00 -0.63 0.00 0.00 43.02 43.02 1rjr s PHE 396 CO 0.65 -0.49 1.11 -1.25 -0.05 0.00 0.00 175.22 175.18 1rjr s PRO 397 N -2.72 2.68 0.32 1.99 0.04 -1.26 -4.53 135.00 131.52 1rjr s PRO 397 Ca 0.04 1.34 0.07 0.00 0.04 0.00 0.00 61.00 62.49 1rjr s PRO 397 Cb -0.01 -1.94 0.77 0.00 0.04 0.00 0.00 34.50 33.36 1rjr s PRO 397 CO -0.07 -1.33 1.80 1.25 0.04 0.00 0.00 177.00 178.69 1rjr h LEU 398 N -0.23 0.75 -1.38 -3.56 5.85 -1.94 -0.91 115.31 113.88 1rjr h LEU 398 Ca -0.46 0.08 -0.06 0.00 0.84 0.00 0.00 57.88 58.28 1rjr h LEU 398 Cb 1.24 -0.06 -0.01 0.00 0.37 0.00 0.00 40.66 42.21 1rjr h LEU 398 CO 0.53 0.29 -0.26 1.05 -0.34 0.00 0.00 178.44 179.71 1rjr h GLU 399 N 0.74 0.07 0.06 1.25 9.09 -1.92 -0.40 114.58 123.47 1rjr h GLU 399 Ca 0.55 -0.02 -0.26 0.00 0.05 0.00 0.00 59.36 59.68 1rjr h GLU 399 Cb 0.89 -0.01 0.01 0.00 -1.65 0.00 0.00 28.75 28.00 1rjr h GLU 399 CO -0.33 0.33 -1.11 1.15 0.05 0.00 0.00 179.01 179.10 1rjr h THR 400 N 0.06 1.37 -0.60 -1.06 2.02 -1.56 -0.96 112.91 112.17 1rjr h THR 400 Ca 0.01 -2.54 -0.06 0.00 0.77 0.00 0.00 66.41 64.59 1rjr h THR 400 Cb 0.50 2.60 -0.03 0.00 -1.74 0.00 0.00 68.15 69.49 1rjr h THR 400 CO 0.04 0.76 0.12 0.00 0.37 0.00 0.00 175.52 176.81 1rjr h ALA 401 N 0.53 1.07 -0.17 6.16 0.00 -0.86 -1.81 119.26 124.19 1rjr h ALA 401 Ca -0.13 -0.24 -0.04 0.00 0.00 0.00 0.00 54.91 54.50 1rjr h ALA 401 Cb 1.77 -0.24 -0.01 0.00 0.00 0.00 0.00 17.79 19.32 1rjr h ALA 401 CO 0.20 0.61 -0.04 0.28 0.00 0.00 0.00 179.25 180.30 1rjr h VAL 402 N 0.91 1.29 -0.80 0.00 2.07 -1.07 -3.03 116.25 115.62 1rjr h VAL 402 Ca 0.19 -1.00 0.13 0.00 0.82 0.00 0.00 66.70 66.83 1rjr h VAL 402 Cb 0.37 1.61 -0.09 0.00 -1.52 0.00 0.00 31.29 31.66 1rjr h VAL 402 CO 0.01 0.30 0.40 -0.25 0.02 0.00 0.00 177.57 178.04 1rjr h TRP 403 N 0.03 0.71 0.00 1.57 7.01 -0.85 0.22 115.95 124.64 1rjr h TRP 403 Ca 0.04 0.03 0.00 0.00 2.11 0.00 0.00 58.89 61.07 1rjr h TRP 403 Cb 0.47 -0.19 0.00 0.00 -2.10 0.00 0.00 29.16 27.34 1rjr h TRP 403 CO 0.05 0.20 0.00 1.63 -2.79 0.00 0.00 178.44 177.53 1rjr n LYS 404 N -4.87 0.13 0.00 2.65 5.02 -0.71 -1.55 118.16 118.83 1rjr n LYS 404 Ca 0.15 0.56 0.00 0.00 -2.02 0.00 0.00 58.31 57.00 1rjr n LYS 404 Cb 0.37 -1.86 0.00 0.00 -0.02 0.00 0.00 35.03 33.52 1rjr n LYS 404 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1rjr n MET 405 N -2.12 1.95 0.00 1.97 0.00 -0.02 -2.00 117.12 116.90 1rjr n MET 405 Ca -0.00 -1.21 0.00 0.00 0.00 0.00 0.00 57.70 56.48 1rjr n MET 405 Cb 0.07 -0.97 0.00 0.00 0.00 0.00 0.00 33.22 32.33 1rjr n MET 405 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 175.97 176.22 1rjr n THR 406 N -0.36 0.00 -0.13 3.17 -2.24 -0.67 -1.12 114.28 112.92 1rjr n THR 406 Ca 0.00 0.00 -0.05 0.00 -2.27 0.00 0.00 64.05 61.73 1rjr n THR 406 Cb 0.21 -0.06 0.03 0.00 -2.10 0.00 0.00 70.33 68.41 1rjr n THR 406 CO 0.00 0.00 0.00 1.23 -0.57 0.00 0.00 175.07 175.73 1rjr h GLY 407 N 0.00 0.56 1.00 3.38 0.00 -1.21 -0.31 103.07 106.50 1rjr h GLY 407 Ca 0.00 -0.11 -0.02 0.00 0.00 0.00 0.00 47.33 47.20 1rjr h GLY 407 CO 0.00 0.06 -0.18 -2.00 0.00 0.00 0.00 176.54 174.42 1rjr h LEU 408 N 0.36 -0.42 -0.71 3.11 5.85 -1.51 -2.47 115.31 119.52 1rjr h LEU 408 Ca 0.19 0.01 0.02 0.00 0.84 0.00 0.00 57.88 58.94 1rjr h LEU 408 Cb 0.15 0.11 -0.04 0.00 0.37 0.00 0.00 40.66 41.25 1rjr h LEU 408 CO -0.17 -0.29 0.46 0.74 -0.34 0.00 0.00 178.44 178.83 1rjr h THR 409 N -0.50 1.14 -0.89 1.05 2.02 -1.71 -1.56 112.91 112.46 1rjr h THR 409 Ca -0.05 -0.31 -0.02 0.00 0.77 0.00 0.00 66.41 66.80 1rjr h THR 409 Cb 0.38 0.15 -0.04 0.00 -1.74 0.00 0.00 68.15 66.90 1rjr h THR 409 CO 0.08 0.17 0.49 0.00 0.37 0.00 0.00 175.52 176.63 1rjr h ALA 410 N 1.28 1.14 -0.14 6.16 0.00 -1.00 -2.14 119.26 124.56 1rjr h ALA 410 Ca 0.27 -0.13 -0.02 0.00 0.00 0.00 0.00 54.91 55.04 1rjr h ALA 410 Cb -0.04 -0.36 -0.01 0.00 0.00 0.00 0.00 17.79 17.38 1rjr h ALA 410 CO -0.08 0.65 0.02 0.00 0.00 0.00 0.00 179.25 179.83 1rjr h ALA 411 N 1.27 0.19 -0.11 0.00 0.00 -0.96 0.10 119.26 119.76 1rjr h ALA 411 Ca 0.31 -0.16 -0.07 0.00 0.00 0.00 0.00 54.91 55.00 1rjr h ALA 411 Cb 0.02 -0.05 -0.01 0.00 0.00 0.00 0.00 17.79 17.75 1rjr h ALA 411 CO -0.05 -0.15 -0.23 0.87 0.00 0.00 0.00 179.25 179.69 1rjr h LYS 412 N 0.01 0.18 -0.03 0.00 1.79 -1.08 -2.66 116.57 114.79 1rjr h LYS 412 Ca 0.04 -0.05 0.00 0.00 -2.18 0.00 0.00 60.65 58.46 1rjr h LYS 412 Cb 0.30 -0.02 0.00 0.00 -1.58 0.00 0.00 32.23 30.94 1rjr h LYS 412 CO 0.00 0.41 -0.03 1.19 -1.08 0.00 0.00 179.45 179.94 1rjr n PHE 413 N -4.20 0.00 -3.15 -1.35 3.72 -0.82 -4.98 117.46 106.69 1rjr n PHE 413 Ca -0.01 0.00 -0.15 0.00 -0.05 0.00 0.00 57.45 57.24 1rjr n PHE 413 Cb 0.33 -0.00 0.06 0.00 -0.94 0.00 0.00 39.48 38.93 1rjr n PHE 413 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1rjr n GLY 414 N 1.32 -0.12 3.37 1.37 0.00 -0.56 -4.77 105.19 105.80 1rjr n GLY 414 Ca 0.15 -0.04 -0.46 0.00 0.00 0.00 0.00 46.02 45.66 1rjr n GLY 414 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1rjr s LEU 415 N -5.27 6.22 0.35 0.99 1.43 0.24 -4.47 118.68 118.17 1rjr s LEU 415 Ca 0.21 -2.66 -0.28 0.00 -1.03 0.00 0.00 54.13 50.38 1rjr s LEU 415 Cb -0.09 -2.27 -0.12 0.00 0.03 0.00 0.00 46.19 43.74 1rjr s LEU 415 CO 0.52 -0.67 1.37 0.00 0.23 0.00 0.00 176.35 177.80 1rjr n ALA 416 N 4.53 1.75 -1.50 4.21 0.00 -1.26 -2.99 120.51 125.25 1rjr n ALA 416 Ca 0.19 0.35 -0.17 0.00 0.00 0.00 0.00 53.44 53.81 1rjr n ALA 416 Cb 0.46 -2.32 -0.07 0.00 0.00 0.00 0.00 19.45 17.52 1rjr n ALA 416 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1rjr n GLU 417 N 0.54 -1.16 -4.30 0.00 1.02 -1.26 -4.94 120.64 110.54 1rjr n GLU 417 Ca 0.03 1.08 -0.16 0.00 -0.02 0.00 0.00 57.16 58.10 1rjr n GLU 417 Cb 0.37 -5.29 -0.10 0.00 -0.02 0.00 0.00 31.44 26.40 1rjr n GLU 417 CO 0.00 0.00 0.00 1.03 1.18 0.00 0.00 177.13 179.34 1rjr s ARG 418 N -3.44 1.24 0.00 3.49 0.52 -1.16 -1.01 118.95 118.59 1rjr s ARG 418 Ca 0.00 -1.61 0.00 0.00 -0.52 0.00 0.00 55.73 53.60 1rjr s ARG 418 Cb 0.00 -0.54 0.00 0.00 0.52 0.00 0.00 34.95 34.93 1rjr s ARG 418 CO 0.00 -0.07 0.00 0.41 0.02 0.00 0.00 175.30 175.66 1rjr n GLY 419 N -0.34 0.79 2.96 -3.53 0.00 -1.26 -4.82 105.19 98.98 1rjr n GLY 419 Ca -0.06 0.00 -0.12 0.00 0.00 0.00 0.00 46.02 45.84 1rjr n GLY 419 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rjr s GLN 420 N -0.41 0.15 -1.13 1.61 -0.21 -1.26 -1.89 119.66 116.52 1rjr s GLN 420 Ca 0.00 -0.09 -0.14 0.00 0.02 0.00 0.00 55.36 55.15 1rjr s GLN 420 Cb 0.00 0.06 0.17 0.00 1.00 0.00 0.00 33.01 34.24 1rjr s GLN 420 CO 0.00 -0.03 1.32 0.08 -2.12 0.00 0.00 175.29 174.55 1rjr s VAL 421 N -0.36 5.07 0.02 1.09 1.01 -0.15 -4.88 120.40 122.20 1rjr s VAL 421 Ca -0.04 -2.47 0.05 0.00 0.00 0.00 0.00 61.98 59.52 1rjr s VAL 421 Cb -0.03 -4.84 -0.02 0.00 0.00 0.00 0.00 36.38 31.49 1rjr s VAL 421 CO 0.00 -1.54 -0.15 -1.10 0.00 0.00 0.00 175.10 172.30 1rjr s GLN 422 N 1.53 1.10 0.31 2.72 -1.52 -1.26 -4.83 119.66 117.71 1rjr s GLN 422 Ca 0.39 -0.71 -0.30 0.00 -1.95 0.00 0.00 55.36 52.80 1rjr s GLN 422 Cb -0.04 -1.11 -0.11 0.00 -0.22 0.00 0.00 33.01 31.53 1rjr s GLN 422 CO -0.03 0.29 1.59 -2.30 -0.25 0.00 0.00 175.29 174.59 1rjr n PRO 423 N 2.18 2.74 0.00 2.91 -0.02 -1.26 -1.52 135.00 140.03 1rjr n PRO 423 Ca -0.17 0.97 0.00 0.00 -2.02 0.00 0.00 63.50 62.29 1rjr n PRO 423 Cb 0.55 -2.76 0.00 0.00 -0.02 0.00 0.00 33.50 31.27 1rjr n PRO 423 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1rjr n GLY 424 N 1.80 3.27 3.85 -1.23 0.00 0.48 -5.01 105.19 108.35 1rjr n GLY 424 Ca 0.07 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.78 1rjr n GLY 424 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1rjr s TYR 425 N -2.63 3.30 0.54 1.61 1.51 -0.58 -4.76 117.35 116.34 1rjr s TYR 425 Ca 0.00 1.22 -0.20 0.00 -1.01 0.00 0.00 57.07 57.08 1rjr s TYR 425 Cb 0.00 -2.93 -0.05 0.00 -0.11 0.00 0.00 41.96 38.87 1rjr s TYR 425 CO 0.00 -1.13 1.21 0.71 -1.11 0.00 0.00 175.55 175.23 1rjr s TYR 426 N -3.20 2.54 -1.11 2.71 2.02 -0.18 -0.78 117.35 119.34 1rjr s TYR 426 Ca 0.58 1.50 -0.07 0.00 -0.37 0.00 0.00 57.07 58.71 1rjr s TYR 426 Cb -0.12 -3.47 -0.05 0.00 -0.40 0.00 0.00 41.96 37.91 1rjr s TYR 426 CO 0.54 -2.03 2.92 0.00 -1.57 0.00 0.00 175.55 175.40 1rjr n ALA 427 N -1.18 7.03 -2.57 3.71 0.00 0.24 -4.60 120.51 123.15 1rjr n ALA 427 Ca 0.11 -3.30 -0.42 0.00 0.00 0.00 0.00 53.44 49.83 1rjr n ALA 427 Cb 0.49 -2.88 -0.06 0.00 0.00 0.00 0.00 19.45 16.99 1rjr n ALA 427 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1rjr s ASP 428 N 1.46 6.47 0.04 0.00 1.01 -1.26 -1.81 116.67 122.58 1rjr s ASP 428 Ca 0.64 0.20 -0.00 0.00 0.71 0.00 0.00 52.55 54.10 1rjr s ASP 428 Cb 0.23 -2.35 -0.03 0.00 1.01 0.00 0.00 42.92 41.78 1rjr s ASP 428 CO -0.08 -0.64 -0.04 -0.76 0.21 0.00 0.00 175.17 173.86 1rjr s LEU 429 N 2.84 2.37 0.01 1.23 1.43 -0.20 -0.77 118.68 125.60 1rjr s LEU 429 Ca 0.27 -0.76 0.05 0.00 -1.03 0.00 0.00 54.13 52.65 1rjr s LEU 429 Cb -0.14 0.11 -0.02 0.00 0.03 0.00 0.00 46.19 46.18 1rjr s LEU 429 CO 0.16 -0.44 -0.15 -0.69 0.23 0.00 0.00 176.35 175.46 1rjr s VAL 430 N -2.70 1.18 -0.25 -1.59 1.01 0.16 -0.77 120.40 117.45 1rjr s VAL 430 Ca -0.03 -0.83 0.01 0.00 0.00 0.00 0.00 61.98 61.13 1rjr s VAL 430 Cb -0.01 -1.02 0.04 0.00 0.00 0.00 0.00 36.38 35.39 1rjr s VAL 430 CO -0.05 0.18 -0.10 -0.69 0.00 0.00 0.00 175.10 174.43 1rjr s VAL 431 N -0.59 2.40 0.12 2.92 1.01 -0.06 -1.05 120.40 125.14 1rjr s VAL 431 Ca 0.04 -1.34 0.04 0.00 0.00 0.00 0.00 61.98 60.72 1rjr s VAL 431 Cb -0.07 -2.29 -0.04 0.00 0.00 0.00 0.00 36.38 33.98 1rjr s VAL 431 CO 0.00 0.12 -0.10 0.72 0.00 0.00 0.00 175.10 175.84 1rjr s PHE 432 N 1.20 1.15 -0.42 5.22 -0.71 -0.61 -1.02 117.98 122.79 1rjr s PHE 432 Ca -0.04 -0.71 -0.18 0.00 -1.04 0.00 0.00 56.93 54.96 1rjr s PHE 432 Cb -0.18 -0.61 0.02 0.00 -1.21 0.00 0.00 43.02 41.04 1rjr s PHE 432 CO -0.06 0.03 0.50 0.34 -1.34 0.00 0.00 175.22 174.69 1rjr s ASP 433 N -2.79 6.24 0.54 1.98 -1.08 0.01 -0.71 116.67 120.85 1rjr s ASP 433 Ca 0.11 -0.53 0.23 0.00 -0.52 0.00 0.00 52.55 51.84 1rjr s ASP 433 Cb -0.00 -2.25 1.41 0.00 -1.46 0.00 0.00 42.92 40.62 1rjr s ASP 433 CO -0.00 -0.62 2.07 1.55 0.52 0.00 0.00 175.17 178.69 1rjr h PRO 434 N 8.74 0.00 0.00 4.34 0.13 -1.88 0.22 132.00 143.55 1rjr h PRO 434 Ca -0.26 0.00 -0.14 0.00 -0.87 0.00 0.00 66.00 64.72 1rjr h PRO 434 Cb 1.11 0.00 -0.02 0.00 0.13 0.00 0.00 31.00 32.22 1rjr h PRO 434 CO 0.82 0.00 -0.68 0.00 -0.23 0.00 0.00 178.00 177.90 1rjr h ALA 435 N 1.83 0.60 0.00 -0.56 0.00 -1.91 -3.38 119.26 115.84 1rjr h ALA 435 Ca 0.14 -0.62 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1rjr h ALA 435 Cb 0.58 -0.11 0.00 0.00 0.00 0.00 0.00 17.79 18.26 1rjr h ALA 435 CO -0.00 0.86 -0.29 0.25 0.00 0.00 0.00 179.25 180.07 1rjr n THR 436 N -3.33 0.00 -1.63 0.00 -2.24 -0.86 -5.03 114.28 101.18 1rjr n THR 436 Ca 0.01 -0.38 -0.49 0.00 -2.27 0.00 0.00 64.05 60.92 1rjr n THR 436 Cb 0.78 0.90 -0.05 0.00 -2.10 0.00 0.00 70.33 69.86 1rjr n THR 436 CO 0.00 0.00 0.00 0.55 -0.57 0.00 0.00 175.07 175.05 1rjr n VAL 437 N -1.15 0.01 -3.54 2.28 3.14 0.73 -4.14 118.33 115.65 1rjr n VAL 437 Ca 0.00 -0.00 -0.12 0.00 -2.96 0.00 0.00 64.34 61.26 1rjr n VAL 437 Cb 0.04 -1.16 -0.05 0.00 -1.06 0.00 0.00 33.84 31.61 1rjr n VAL 437 CO 0.00 0.00 0.00 0.00 -6.46 0.00 0.00 176.83 170.37 1rjr s ALA 438 N 0.75 -1.86 0.01 1.55 0.00 -0.53 -4.10 121.76 117.58 1rjr s ALA 438 Ca 0.82 1.38 -0.30 0.00 0.00 0.00 0.00 51.96 53.85 1rjr s ALA 438 Cb -0.83 -0.27 -0.04 0.00 0.00 0.00 0.00 23.12 21.98 1rjr s ALA 438 CO 0.43 -0.41 1.07 0.16 0.00 0.00 0.00 175.76 177.01 1rjr s ASP 439 N -1.46 7.24 -0.05 0.00 -4.77 -1.26 -1.20 116.67 115.17 1rjr s ASP 439 Ca -0.02 1.79 0.19 0.00 -3.30 0.00 0.00 52.55 51.21 1rjr s ASP 439 Cb -0.00 -2.57 -0.30 0.00 -1.09 0.00 0.00 42.92 38.96 1rjr s ASP 439 CO 0.01 -0.36 0.37 -1.20 0.70 0.00 0.00 175.17 174.68 1rjr n SER 440 N 4.05 0.44 -4.75 2.11 7.64 -1.26 -4.89 113.62 116.96 1rjr n SER 440 Ca 0.07 0.00 -0.41 0.00 1.01 0.00 0.00 58.87 59.54 1rjr n SER 440 Cb 0.49 1.74 -0.02 0.00 -1.01 0.00 0.00 64.21 65.41 1rjr n SER 440 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1rjr s ALA 441 N -3.22 3.58 0.29 -0.43 0.00 -1.22 -4.77 121.76 115.98 1rjr s ALA 441 Ca -0.08 1.32 0.03 0.00 0.00 0.00 0.00 51.96 53.23 1rjr s ALA 441 Cb 0.11 -3.53 -0.06 0.00 0.00 0.00 0.00 23.12 19.64 1rjr s ALA 441 CO 0.82 -0.73 0.06 0.95 0.00 0.00 0.00 175.76 176.86 1rjr s THR 442 N -0.44 0.97 0.33 0.00 -4.23 0.02 -4.90 115.64 107.39 1rjr s THR 442 Ca 0.55 -2.01 0.00 0.00 -1.18 0.00 0.00 61.69 59.06 1rjr s THR 442 Cb -0.41 -2.67 0.26 0.00 1.34 0.00 0.00 72.50 71.02 1rjr s THR 442 CO 0.48 -0.06 1.99 -0.26 -0.54 0.00 0.00 174.62 176.23 1rjr h PHE 443 N 2.26 0.90 -0.32 3.99 0.04 -1.95 0.27 116.94 122.14 1rjr h PHE 443 Ca -0.40 0.02 -0.14 0.00 2.80 0.00 0.00 57.97 60.26 1rjr h PHE 443 Cb 1.24 -0.31 -0.01 0.00 2.20 0.00 0.00 35.95 39.08 1rjr h PHE 443 CO 0.54 0.57 -0.36 1.49 -0.60 0.00 0.00 178.31 179.95 1rjr h GLU 444 N 0.98 0.73 -2.68 1.51 4.81 -1.96 -3.36 114.58 114.61 1rjr h GLU 444 Ca 0.26 -0.36 -0.60 0.00 -0.13 0.00 0.00 59.36 58.53 1rjr h GLU 444 Cb -0.11 -0.00 -0.39 0.00 0.63 0.00 0.00 28.75 28.87 1rjr h GLU 444 CO -0.06 0.98 -0.82 -1.01 -0.73 0.00 0.00 179.01 177.37 1rjr s HIS 445 N -4.37 1.82 -2.00 0.92 3.76 -0.88 -5.00 115.29 109.54 1rjr s HIS 445 Ca -0.09 -2.51 0.28 0.00 -0.15 0.00 0.00 55.06 52.59 1rjr s HIS 445 Cb 0.12 -1.54 1.69 0.00 1.11 0.00 0.00 32.58 33.97 1rjr s HIS 445 CO 0.85 -0.75 2.05 -0.35 -0.85 0.00 0.00 174.74 175.68 1rjr n PRO 446 N 2.91 0.92 -0.19 8.40 -0.04 0.03 -0.80 135.00 146.23 1rjr n PRO 446 Ca 0.21 0.00 0.07 0.00 -0.04 0.00 0.00 63.50 63.74 1rjr n PRO 446 Cb 0.41 -1.48 0.15 0.00 -0.04 0.00 0.00 33.50 32.54 1rjr n PRO 446 CO 0.00 0.00 0.00 0.25 -0.04 0.00 0.00 175.50 175.71 1rjr n THR 447 N -0.98 1.63 -2.41 0.52 -2.24 -1.26 -4.44 114.28 105.09 1rjr n THR 447 Ca 0.21 -1.62 -0.41 0.00 -2.27 0.00 0.00 64.05 59.96 1rjr n THR 447 Cb 0.10 0.07 -0.04 0.00 -2.10 0.00 0.00 70.33 68.36 1rjr n THR 447 CO 0.00 0.00 0.00 -1.61 -0.57 0.00 0.00 175.07 172.89 1rjr s GLU 448 N -2.07 4.53 0.20 -0.78 0.41 -1.24 -4.98 118.70 114.76 1rjr s GLU 448 Ca 0.26 1.84 -0.30 0.00 -0.41 0.00 0.00 54.97 56.36 1rjr s GLU 448 Cb 0.20 -3.24 -0.09 0.00 -1.78 0.00 0.00 34.13 29.23 1rjr s GLU 448 CO 0.07 -0.02 1.33 1.03 -0.49 0.00 0.00 175.26 177.18 1rjr s ARG 449 N -0.46 4.37 0.66 1.61 3.00 -1.26 -3.46 118.95 123.41 1rjr s ARG 449 Ca 0.51 2.09 -0.17 0.00 0.00 0.00 0.00 55.73 58.16 1rjr s ARG 449 Cb -0.32 -3.18 -0.01 0.00 0.00 0.00 0.00 34.95 31.44 1rjr s ARG 449 CO 0.37 -0.28 1.13 0.00 0.00 0.00 0.00 175.30 176.52 1rjr n ALA 450 N 2.63 0.51 -2.56 2.13 0.00 -1.26 -4.46 120.51 117.50 1rjr n ALA 450 Ca 0.06 -0.06 -0.29 0.00 0.00 0.00 0.00 53.44 53.15 1rjr n ALA 450 Cb 0.42 -2.22 -0.04 0.00 0.00 0.00 0.00 19.45 17.62 1rjr n ALA 450 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1rjr s ALA 451 N -1.56 3.67 -0.01 0.00 0.00 -0.34 -4.54 121.76 118.98 1rjr s ALA 451 Ca 0.79 -0.56 0.00 0.00 0.00 0.00 0.00 51.96 52.19 1rjr s ALA 451 Cb -0.38 -2.25 0.00 0.00 0.00 0.00 0.00 23.12 20.50 1rjr s ALA 451 CO 0.45 0.37 0.00 0.41 0.00 0.00 0.00 175.76 176.99 1rjr n GLY 452 N -0.64 0.43 3.40 0.00 0.00 -1.26 -1.45 105.19 105.67 1rjr n GLY 452 Ca -0.02 -0.02 -0.44 0.00 0.00 0.00 0.00 46.02 45.54 1rjr n GLY 452 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1rjr s ILE 453 N -1.86 5.23 -0.07 -0.61 -1.09 -1.26 -0.81 121.20 120.72 1rjr s ILE 453 Ca 0.00 -1.00 -0.14 0.00 -2.23 0.00 0.00 60.65 57.28 1rjr s ILE 453 Cb 0.00 -4.09 -0.10 0.00 -1.58 0.00 0.00 42.46 36.69 1rjr s ILE 453 CO 0.00 -0.53 0.53 -0.74 -1.23 0.00 0.00 174.94 172.97 1rjr h HIS 454 N 8.73 -0.22 -3.39 3.97 -0.00 -1.44 -3.45 115.15 119.34 1rjr h HIS 454 Ca -0.28 -0.01 -0.05 0.00 -0.00 0.00 0.00 60.37 60.03 1rjr h HIS 454 Cb 1.11 0.07 -0.13 0.00 -0.00 0.00 0.00 27.41 28.47 1rjr h HIS 454 CO 0.62 0.07 -0.07 -1.54 -0.00 0.00 0.00 177.93 177.02 1rjr s SER 455 N -5.40 -0.23 -0.04 3.26 1.04 -1.07 -4.18 113.70 107.08 1rjr s SER 455 Ca -0.08 -0.34 -0.02 0.00 0.48 0.00 0.00 55.95 55.99 1rjr s SER 455 Cb 0.00 0.48 0.03 0.00 0.10 0.00 0.00 66.02 66.63 1rjr s SER 455 CO 0.28 -0.87 0.09 -0.69 0.98 0.00 0.00 173.24 173.03 1rjr s VAL 456 N -3.81 -0.04 -0.04 5.02 1.01 -0.65 -0.88 120.40 121.01 1rjr s VAL 456 Ca 0.04 0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.24 1rjr s VAL 456 Cb 0.02 -0.15 -0.02 0.00 0.00 0.00 0.00 36.38 36.23 1rjr s VAL 456 CO -0.11 0.06 -0.25 -0.31 0.00 0.00 0.00 175.10 174.49 1rjr s TYR 457 N 0.84 2.35 -0.14 5.22 1.51 0.05 -0.66 117.35 126.52 1rjr s TYR 457 Ca -0.07 -0.55 0.01 0.00 -1.01 0.00 0.00 57.07 55.45 1rjr s TYR 457 Cb -0.09 -1.52 0.02 0.00 -0.11 0.00 0.00 41.96 40.25 1rjr s TYR 457 CO -0.03 -0.11 -0.17 0.08 -1.11 0.00 0.00 175.55 174.20 1rjr s VAL 458 N -0.41 1.73 -1.52 0.71 1.01 0.43 -1.03 120.40 121.33 1rjr s VAL 458 Ca 0.04 -0.76 -0.10 0.00 0.00 0.00 0.00 61.98 61.16 1rjr s VAL 458 Cb -0.11 -1.58 0.07 0.00 0.00 0.00 0.00 36.38 34.76 1rjr s VAL 458 CO 0.01 0.49 0.75 0.59 0.00 0.00 0.00 175.10 176.93 1rjr n ASN 459 N 4.40 -2.73 0.00 3.32 5.03 -1.19 -1.54 115.26 122.54 1rjr n ASN 459 Ca -0.19 -0.91 0.00 0.00 0.87 0.00 0.00 54.58 54.35 1rjr n ASN 459 Cb 0.51 -3.39 0.00 0.00 -1.02 0.00 0.00 39.78 35.88 1rjr n ASN 459 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 1rjr n GLY 460 N -1.67 2.80 3.68 7.41 0.00 -0.75 -4.14 105.19 112.52 1rjr n GLY 460 Ca -0.09 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1rjr n GLY 460 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1rjr s ALA 461 N -2.50 3.50 0.08 4.61 0.00 -0.59 -4.95 121.76 121.90 1rjr s ALA 461 Ca 0.00 -0.73 -0.31 0.00 0.00 0.00 0.00 51.96 50.93 1rjr s ALA 461 Cb 0.00 -1.96 -0.08 0.00 0.00 0.00 0.00 23.12 21.08 1rjr s ALA 461 CO 0.00 0.23 1.61 0.00 0.00 0.00 0.00 175.76 177.61 1rjr s ALA 462 N 0.18 3.68 -0.02 0.00 0.00 -1.26 -0.42 121.76 123.92 1rjr s ALA 462 Ca 0.06 1.20 0.11 0.00 0.00 0.00 0.00 51.96 53.32 1rjr s ALA 462 Cb -0.12 -3.67 -0.17 0.00 0.00 0.00 0.00 23.12 19.16 1rjr s ALA 462 CO 0.00 -1.03 0.23 1.33 0.00 0.00 0.00 175.76 176.29 1rjr n VAL 463 N 4.61 0.02 -3.83 0.00 0.24 0.17 -4.57 118.33 114.96 1rjr n VAL 463 Ca 0.15 -0.25 -0.21 0.00 -2.04 0.00 0.00 64.34 61.99 1rjr n VAL 463 Cb 0.41 0.22 -0.17 0.00 -1.47 0.00 0.00 33.84 32.82 1rjr n VAL 463 CO 0.00 0.00 0.00 0.86 -2.14 0.00 0.00 176.83 175.55 1rjr s TRP 464 N -2.74 0.47 -0.10 6.34 -0.11 -1.07 -1.43 118.94 120.31 1rjr s TRP 464 Ca -0.04 -0.05 -0.24 0.00 1.22 0.00 0.00 56.10 56.99 1rjr s TRP 464 Cb 0.07 -0.63 0.06 0.00 -1.50 0.00 0.00 33.47 31.47 1rjr s TRP 464 CO 0.45 -0.24 0.57 -1.21 -4.62 0.00 0.00 176.95 171.90 1rjr s GLU 465 N 1.65 0.85 -1.59 5.86 2.02 -1.00 -1.63 118.70 124.86 1rjr s GLU 465 Ca -0.01 0.34 -0.13 0.00 0.02 0.00 0.00 54.97 55.19 1rjr s GLU 465 Cb -0.13 0.40 0.10 0.00 0.10 0.00 0.00 34.13 34.61 1rjr s GLU 465 CO -0.03 -0.22 0.79 -0.25 0.02 0.00 0.00 175.26 175.57 1rjr n ASP 466 N 1.59 -3.20 -3.91 -0.19 8.00 -1.26 -1.69 116.55 115.90 1rjr n ASP 466 Ca -0.18 -0.93 -0.28 0.00 0.71 0.00 0.00 54.79 54.11 1rjr n ASP 466 Cb 0.56 -3.20 0.01 0.00 -0.02 0.00 0.00 41.12 38.48 1rjr n ASP 466 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1rjr n GLN 467 N -4.48 -4.78 -3.59 -1.24 1.13 -1.26 -4.96 117.38 98.20 1rjr n GLN 467 Ca -0.01 0.55 -0.16 0.00 -1.94 0.00 0.00 57.00 55.44 1rjr n GLN 467 Cb 0.54 -5.23 -0.06 0.00 0.11 0.00 0.00 30.24 25.59 1rjr n GLN 467 CO 0.00 0.00 0.00 0.45 -1.44 0.00 0.00 177.06 176.07 1rjr s SER 468 N -3.71 -0.50 0.08 1.08 0.15 -0.68 -5.13 113.70 104.99 1rjr s SER 468 Ca 0.42 0.44 -0.31 0.00 0.70 0.00 0.00 55.95 57.21 1rjr s SER 468 Cb -0.22 0.48 -0.07 0.00 -1.71 0.00 0.00 66.02 64.51 1rjr s SER 468 CO 0.85 -0.60 1.31 0.12 1.20 0.00 0.00 173.24 176.11 1rjr s PHE 469 N -1.55 3.30 -0.22 3.44 5.36 -1.26 -2.37 117.98 124.68 1rjr s PHE 469 Ca -0.10 1.09 0.25 0.00 -0.96 0.00 0.00 56.93 57.22 1rjr s PHE 469 Cb -0.01 -3.57 0.64 0.00 -0.34 0.00 0.00 43.02 39.74 1rjr s PHE 469 CO 0.06 -1.90 1.71 1.79 -1.46 0.00 0.00 175.22 175.42 1rjr h THR 470 N 4.42 0.12 0.00 0.12 1.35 -1.53 -3.47 112.91 113.93 1rjr h THR 470 Ca -0.41 -0.99 0.00 0.00 -0.55 0.00 0.00 66.41 64.46 1rjr h THR 470 Cb 1.21 1.89 0.00 0.00 -1.73 0.00 0.00 68.15 69.52 1rjr h THR 470 CO 0.85 0.06 0.00 0.61 -0.25 0.00 0.00 175.52 176.79 1rjr n GLY 471 N 0.74 0.47 3.61 5.82 0.00 -1.26 -5.06 105.19 109.52 1rjr n GLY 471 Ca 0.03 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.62 1rjr n GLY 471 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1rjr s GLN 472 N -0.78 3.86 -1.19 1.61 -1.52 -1.26 -4.94 119.66 115.44 1rjr s GLN 472 Ca 0.00 0.70 -0.09 0.00 -1.95 0.00 0.00 55.36 54.02 1rjr s GLN 472 Cb 0.00 -3.82 0.22 0.00 -0.22 0.00 0.00 33.01 29.20 1rjr s GLN 472 CO 0.00 -1.05 1.55 0.72 -0.25 0.00 0.00 175.29 176.26 1rjr n HIS 473 N 7.08 3.64 1.17 0.91 8.25 -1.26 -4.54 115.22 130.47 1rjr n HIS 473 Ca 0.10 -3.06 0.13 0.00 -0.26 0.00 0.00 57.72 54.62 1rjr n HIS 473 Cb 0.48 -1.80 0.31 0.00 1.12 0.00 0.00 29.99 30.10 1rjr n HIS 473 CO 0.00 0.00 0.00 0.00 0.64 0.00 0.00 176.34 176.98 1rjr n ALA 474 N 3.47 3.27 -1.34 -1.41 0.00 -1.24 -4.76 120.51 118.50 1rjr n ALA 474 Ca 0.33 -0.41 -0.32 0.00 0.00 0.00 0.00 53.44 53.04 1rjr n ALA 474 Cb 0.37 -1.10 0.08 0.00 0.00 0.00 0.00 19.45 18.80 1rjr n ALA 474 CO 0.00 0.00 0.00 0.20 0.00 0.00 0.00 177.50 177.70 1rjr s GLY 475 N -2.63 1.95 0.06 0.00 0.00 -0.16 -4.67 107.32 101.87 1rjr s GLY 475 Ca 0.20 0.46 0.03 0.00 0.00 0.00 0.00 44.72 45.42 1rjr s GLY 475 CO 0.57 0.82 -0.10 0.50 0.00 0.00 0.00 173.10 174.90 1rjr s ARG 476 N -4.44 0.67 -0.09 2.90 0.52 -1.25 -4.63 118.95 112.62 1rjr s ARG 476 Ca 0.65 -0.90 -0.29 0.00 -0.52 0.00 0.00 55.73 54.66 1rjr s ARG 476 Cb -0.20 -0.46 -0.01 0.00 0.52 0.00 0.00 34.95 34.79 1rjr s ARG 476 CO 0.49 0.09 1.00 0.08 0.02 0.00 0.00 175.30 176.97 1rjr s VAL 477 N -1.64 4.80 0.21 3.52 1.01 -1.26 -1.09 120.40 125.95 1rjr s VAL 477 Ca -0.04 2.03 0.05 0.00 0.00 0.00 0.00 61.98 64.02 1rjr s VAL 477 Cb -0.08 -4.31 -0.03 0.00 0.00 0.00 0.00 36.38 31.96 1rjr s VAL 477 CO 0.01 0.03 0.30 -0.76 0.00 0.00 0.00 175.10 174.68 1rjr s LEU 478 N 1.84 4.22 0.09 3.92 1.43 0.72 -4.91 118.68 125.98 1rjr s LEU 478 Ca 0.49 0.04 0.08 0.00 -1.03 0.00 0.00 54.13 53.70 1rjr s LEU 478 Cb -0.19 -2.77 -0.03 0.00 0.03 0.00 0.00 46.19 43.23 1rjr s LEU 478 CO 0.19 -0.02 -0.20 0.20 0.23 0.00 0.00 176.35 176.75 1rjr s ASN 479 N -3.70 2.38 0.00 2.29 0.02 -1.26 -4.57 114.94 110.09 1rjr s ASN 479 Ca 0.34 -0.66 0.28 0.00 -1.02 0.00 0.00 52.86 51.79 1rjr s ASN 479 Cb -0.09 -0.13 0.96 0.00 0.02 0.00 0.00 41.25 42.01 1rjr s ASN 479 CO 0.28 0.04 1.69 -2.11 0.02 0.00 0.00 177.10 177.02