#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3app s ALA 2 N 0.00 2.74 0.13 0.00 0.00 0.12 -4.43 121.76 120.32 3app s ALA 2 Ca 0.00 0.49 -0.24 0.00 0.00 0.00 0.00 51.96 52.21 3app s ALA 2 Cb 0.00 -3.25 0.07 0.00 0.00 0.00 0.00 23.12 19.93 3app s ALA 2 CO 0.00 -0.74 0.60 -1.54 0.00 0.00 0.00 175.76 174.08 3app s SER 3 N -2.51 -0.57 -0.12 0.00 1.04 -1.26 -0.53 113.70 109.75 3app s SER 3 Ca 0.65 0.07 -0.32 0.00 0.48 0.00 0.00 55.95 56.83 3app s SER 3 Cb -0.17 0.59 0.13 0.00 0.10 0.00 0.00 66.02 66.66 3app s SER 3 CO 0.33 -0.92 1.08 -0.83 0.98 0.00 0.00 173.24 173.87 3app s GLY 4 N -2.57 -0.34 -0.12 7.32 0.00 -0.58 -4.71 107.32 106.32 3app s GLY 4 Ca -0.00 1.49 0.03 0.00 0.00 0.00 0.00 44.72 46.23 3app s GLY 4 CO -0.10 0.54 -0.21 0.14 0.00 0.00 0.00 173.10 173.46 3app s VAL 5 N -2.48 1.94 -0.04 1.40 1.01 -1.23 0.00 120.40 121.00 3app s VAL 5 Ca 0.07 -0.92 0.03 0.00 0.00 0.00 0.00 61.98 61.15 3app s VAL 5 Cb -0.01 -1.71 -0.03 0.00 0.00 0.00 0.00 36.38 34.63 3app s VAL 5 CO -0.06 0.53 -0.10 0.00 0.00 0.00 0.00 175.10 175.47 3app s ALA 6 N 0.69 2.85 -0.02 5.51 0.00 0.54 -4.52 121.76 126.82 3app s ALA 6 Ca -0.11 -0.96 -0.13 0.00 0.00 0.00 0.00 51.96 50.76 3app s ALA 6 Cb -0.16 -1.09 -0.05 0.00 0.00 0.00 0.00 23.12 21.81 3app s ALA 6 CO 0.02 0.57 0.37 0.99 0.00 0.00 0.00 175.76 177.70 3app s THR 7 N -0.82 5.11 0.18 0.00 2.01 -1.26 -0.54 115.64 120.30 3app s THR 7 Ca 0.13 0.73 0.08 0.00 0.31 0.00 0.00 61.69 62.94 3app s THR 7 Cb -0.11 -3.66 -0.04 0.00 0.01 0.00 0.00 72.50 68.70 3app s THR 7 CO 0.02 0.58 -0.05 0.54 -0.69 0.00 0.00 174.62 175.03 3app s ASN 8 N -1.09 4.52 -0.04 3.53 2.20 0.11 -4.46 114.94 119.71 3app s ASN 8 Ca 0.23 -0.48 0.01 0.00 -0.94 0.00 0.00 52.86 51.67 3app s ASN 8 Cb -0.16 -0.87 0.02 0.00 -2.00 0.00 0.00 41.25 38.24 3app s ASN 8 CO 0.12 0.10 -0.04 -0.89 -2.94 0.00 0.00 177.10 173.44 3app s THR 9 N -1.71 0.51 0.42 0.54 2.01 -0.18 -0.47 115.64 116.76 3app s THR 9 Ca 0.26 -0.12 -0.24 0.00 0.31 0.00 0.00 61.69 61.91 3app s THR 9 Cb -0.09 -0.54 -0.08 0.00 0.01 0.00 0.00 72.50 71.80 3app s THR 9 CO 0.17 0.22 1.10 -2.16 -0.69 0.00 0.00 174.62 173.25 3app s PRO 10 N 0.88 4.02 0.45 4.92 0.04 -1.26 -1.30 135.00 142.74 3app s PRO 10 Ca -0.12 1.63 -0.05 0.00 0.04 0.00 0.00 61.00 62.50 3app s PRO 10 Cb -0.14 -2.51 0.10 0.00 0.04 0.00 0.00 34.50 31.99 3app s PRO 10 CO 0.00 -0.29 0.61 0.25 0.04 0.00 0.00 177.00 177.61 3app n THR 11 N -0.20 0.00 -1.65 1.26 -2.24 -0.50 -4.84 114.28 106.10 3app n THR 11 Ca 0.06 -0.60 -0.46 0.00 -2.27 0.00 0.00 64.05 60.78 3app n THR 11 Cb 0.49 -1.53 -0.04 0.00 -2.10 0.00 0.00 70.33 67.15 3app n THR 11 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 3app n ALA 12 N -3.26 0.78 -1.28 6.98 0.00 -1.26 -0.28 120.51 122.19 3app n ALA 12 Ca -0.10 0.44 -0.10 0.00 0.00 0.00 0.00 53.44 53.68 3app n ALA 12 Cb 0.29 -2.25 -0.04 0.00 0.00 0.00 0.00 19.45 17.45 3app n ALA 12 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 3app n ASN 13 N 2.55 -5.55 -2.67 0.00 5.03 -1.26 -2.08 115.26 111.28 3app n ASN 13 Ca 0.14 0.24 -0.19 0.00 0.87 0.00 0.00 54.58 55.64 3app n ASN 13 Cb 0.29 -3.89 0.04 0.00 -1.02 0.00 0.00 39.78 35.20 3app n ASN 13 CO 0.00 0.00 0.00 0.47 -1.83 0.00 0.00 177.26 175.90 3app n ASP 14 N -1.02 -5.50 -0.18 6.41 10.43 0.61 -4.91 116.55 122.39 3app n ASP 14 Ca -0.10 -0.28 -0.05 0.00 2.57 0.00 0.00 54.79 56.94 3app n ASP 14 Cb 0.55 -4.30 0.13 0.00 1.84 0.00 0.00 41.12 39.34 3app n ASP 14 CO 0.00 0.00 0.00 -0.08 -1.07 0.00 0.00 177.20 176.05 3app h GLU 15 N -1.36 0.96 -3.54 -1.24 4.81 -1.52 -3.46 114.58 109.23 3app h GLU 15 Ca -0.46 -0.21 -0.05 0.00 -0.13 0.00 0.00 59.36 58.52 3app h GLU 15 Cb 1.31 -0.14 -0.10 0.00 0.63 0.00 0.00 28.75 30.46 3app h GLU 15 CO 0.48 0.85 -0.09 -1.83 -0.73 0.00 0.00 179.01 177.69 3app s GLU 16 N -5.25 1.42 -0.14 1.92 -1.05 -1.26 -4.46 118.70 109.88 3app s GLU 16 Ca -0.11 -1.08 0.01 0.00 -0.15 0.00 0.00 54.97 53.64 3app s GLU 16 Cb 0.15 0.48 0.02 0.00 -0.44 0.00 0.00 34.13 34.34 3app s GLU 16 CO 0.82 -0.59 -0.16 0.71 0.95 0.00 0.00 175.26 177.00 3app s TYR 17 N -3.95 2.21 0.16 4.83 1.51 -1.26 -1.42 117.35 119.43 3app s TYR 17 Ca 0.16 -1.17 0.07 0.00 -1.01 0.00 0.00 57.07 55.12 3app s TYR 17 Cb -0.00 -1.59 -0.04 0.00 -0.11 0.00 0.00 41.96 40.22 3app s TYR 17 CO 0.03 -0.61 0.01 0.96 -1.11 0.00 0.00 175.55 174.82 3app s ILE 18 N 1.24 3.81 0.00 2.71 -5.25 -0.42 -3.82 121.20 119.47 3app s ILE 18 Ca -0.00 -1.35 0.00 0.00 -0.99 0.00 0.00 60.65 58.31 3app s ILE 18 Cb -0.14 -2.91 -0.00 0.00 2.95 0.00 0.00 42.46 42.36 3app s ILE 18 CO -0.07 -0.09 -0.00 -0.89 -1.79 0.00 0.00 174.94 172.10 3app s THR 19 N -1.69 0.02 0.26 8.37 2.01 0.38 -1.01 115.64 123.99 3app s THR 19 Ca 0.27 -0.11 -0.30 0.00 0.31 0.00 0.00 61.69 61.87 3app s THR 19 Cb -0.10 -0.04 -0.09 0.00 0.01 0.00 0.00 72.50 72.28 3app s THR 19 CO 0.19 -0.06 1.01 -2.16 -0.69 0.00 0.00 174.62 172.91 3app s PRO 20 N -0.18 4.76 -0.04 4.92 0.04 -1.26 -0.81 135.00 142.43 3app s PRO 20 Ca -0.02 1.62 0.01 0.00 0.04 0.00 0.00 61.00 62.66 3app s PRO 20 Cb -0.01 -3.24 0.02 0.00 0.04 0.00 0.00 34.50 31.31 3app s PRO 20 CO -0.00 0.38 -0.05 0.08 0.04 0.00 0.00 177.00 177.45 3app s VAL 21 N -1.18 0.56 -0.25 -0.36 1.01 -0.12 -4.65 120.40 115.42 3app s VAL 21 Ca 0.43 -0.16 -0.09 0.00 0.00 0.00 0.00 61.98 62.16 3app s VAL 21 Cb -0.28 -0.57 -0.04 0.00 0.00 0.00 0.00 36.38 35.49 3app s VAL 21 CO 0.36 0.22 0.13 -0.89 0.00 0.00 0.00 175.10 174.92 3app s THR 22 N 0.77 4.95 -0.20 3.92 2.01 -0.68 -0.51 115.64 125.92 3app s THR 22 Ca -0.11 0.04 0.01 0.00 0.31 0.00 0.00 61.69 61.95 3app s THR 22 Cb -0.13 -3.32 0.03 0.00 0.01 0.00 0.00 72.50 69.09 3app s THR 22 CO 0.00 0.33 -0.17 -0.63 -0.69 0.00 0.00 174.62 173.47 3app s ILE 23 N 1.31 2.02 -1.50 1.82 1.01 -0.13 -0.34 121.20 125.40 3app s ILE 23 Ca 0.06 -1.10 -0.10 0.00 0.00 0.00 0.00 60.65 59.51 3app s ILE 23 Cb -0.15 -1.93 0.07 0.00 0.01 0.00 0.00 42.46 40.46 3app s ILE 23 CO 0.06 0.36 0.82 0.61 0.00 0.00 0.00 174.94 176.79 3app n GLY 24 N 4.59 -0.41 2.53 6.18 0.00 -0.09 -1.93 105.19 116.05 3app n GLY 24 Ca -0.19 0.16 0.00 0.00 0.00 0.00 0.00 46.02 46.00 3app n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3app n GLY 25 N -1.66 2.51 3.74 -0.02 0.00 -1.26 -4.88 105.19 103.61 3app n GLY 25 Ca -0.07 0.00 -0.35 0.00 0.00 0.00 0.00 46.02 45.60 3app n GLY 25 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3app s THR 26 N -2.54 5.23 -0.15 2.61 2.01 -0.81 -5.08 115.64 116.90 3app s THR 26 Ca 0.00 0.12 -0.15 0.00 0.31 0.00 0.00 61.69 61.97 3app s THR 26 Cb 0.00 -3.35 -0.05 0.00 0.01 0.00 0.00 72.50 69.12 3app s THR 26 CO 0.00 0.49 0.33 -0.89 -0.69 0.00 0.00 174.62 173.86 3app s THR 27 N 0.01 5.28 0.17 -0.82 2.01 -1.26 -0.95 115.64 120.07 3app s THR 27 Ca 0.08 0.63 0.11 0.00 0.31 0.00 0.00 61.69 62.83 3app s THR 27 Cb -0.12 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.68 3app s THR 27 CO -0.00 0.37 -0.24 -0.76 -0.69 0.00 0.00 174.62 173.30 3app s LEU 28 N 0.53 2.44 -0.44 4.42 1.43 0.34 -4.93 118.68 122.47 3app s LEU 28 Ca 0.18 -0.80 -0.14 0.00 -1.03 0.00 0.00 54.13 52.34 3app s LEU 28 Cb -0.13 -1.23 0.06 0.00 0.03 0.00 0.00 46.19 44.92 3app s LEU 28 CO 0.05 0.14 0.33 0.20 0.23 0.00 0.00 176.35 177.30 3app s ASN 29 N -2.48 6.01 0.23 2.29 0.01 -1.26 -0.94 114.94 118.80 3app s ASN 29 Ca 0.19 -1.23 0.09 0.00 -0.71 0.00 0.00 52.86 51.19 3app s ASN 29 Cb -0.09 -2.13 -0.04 0.00 0.41 0.00 0.00 41.25 39.40 3app s ASN 29 CO 0.09 -0.56 -0.01 -0.76 -1.51 0.00 0.00 177.10 174.35 3app s LEU 30 N 1.60 3.20 -0.22 0.60 1.43 0.01 -0.32 118.68 124.99 3app s LEU 30 Ca 0.04 -0.58 -0.18 0.00 -1.03 0.00 0.00 54.13 52.39 3app s LEU 30 Cb -0.22 -1.77 -0.03 0.00 0.03 0.00 0.00 46.19 44.19 3app s LEU 30 CO 0.07 0.03 0.48 0.21 0.23 0.00 0.00 176.35 177.37 3app s ASN 31 N -3.40 6.49 -0.03 2.29 3.04 -0.61 -0.47 114.94 122.26 3app s ASN 31 Ca 0.30 0.59 -0.27 0.00 0.04 0.00 0.00 52.86 53.51 3app s ASN 31 Cb -0.07 -2.27 -0.03 0.00 -1.54 0.00 0.00 41.25 37.33 3app s ASN 31 CO 0.19 -0.18 0.87 -0.36 -3.04 0.00 0.00 177.10 174.58 3app s PHE 32 N 1.72 3.63 -0.22 0.43 0.40 -1.25 -1.64 117.98 121.05 3app s PHE 32 Ca 0.22 1.52 -0.01 0.00 -0.60 0.00 0.00 56.93 58.06 3app s PHE 32 Cb -0.15 -3.00 0.06 0.00 0.51 0.00 0.00 43.02 40.44 3app s PHE 32 CO 0.09 0.03 0.01 0.34 0.70 0.00 0.00 175.22 176.39 3app s ASP 33 N 0.93 3.36 0.00 1.36 3.68 0.75 -4.12 116.67 122.63 3app s ASP 33 Ca 0.46 -1.03 0.24 0.00 2.13 0.00 0.00 52.55 54.35 3app s ASP 33 Cb -0.20 -0.83 1.45 0.00 -1.45 0.00 0.00 42.92 41.89 3app s ASP 33 CO 0.24 -0.29 1.85 0.35 0.13 0.00 0.00 175.17 177.45 3app n THR 34 N 4.90 0.00 1.02 1.71 -2.24 -1.26 -0.65 114.28 117.75 3app n THR 34 Ca -0.09 0.00 0.12 0.00 -2.27 0.00 0.00 64.05 61.81 3app n THR 34 Cb 0.46 -0.52 0.19 0.00 -2.10 0.00 0.00 70.33 68.36 3app n THR 34 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 3app n GLY 35 N 0.67 0.88 3.16 3.38 0.00 -1.26 -3.52 105.19 108.50 3app n GLY 35 Ca 0.18 -0.65 -0.08 0.00 0.00 0.00 0.00 46.02 45.47 3app n GLY 35 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3app s SER 36 N -1.93 0.31 -0.15 1.61 1.04 -1.13 -4.92 113.70 108.52 3app s SER 36 Ca 0.31 -0.95 0.15 0.00 0.48 0.00 0.00 55.95 55.94 3app s SER 36 Cb 0.20 0.28 0.34 0.00 0.10 0.00 0.00 66.02 66.94 3app s SER 36 CO 0.31 -0.69 1.17 0.00 0.98 0.00 0.00 173.24 175.01 3app n ALA 37 N -0.02 2.84 -2.67 5.32 0.00 -1.26 -0.82 120.51 123.90 3app n ALA 37 Ca -0.12 -2.83 -0.32 0.00 0.00 0.00 0.00 53.44 50.18 3app n ALA 37 Cb 0.62 -0.39 -0.09 0.00 0.00 0.00 0.00 19.45 19.60 3app n ALA 37 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 3app s ASP 38 N -2.92 5.00 -0.52 0.00 -0.00 -1.26 -4.42 116.67 112.55 3app s ASP 38 Ca 0.33 -0.09 -0.02 0.00 -0.00 0.00 0.00 52.55 52.78 3app s ASP 38 Cb 0.31 -1.24 0.14 0.00 -0.00 0.00 0.00 42.92 42.12 3app s ASP 38 CO -0.02 0.25 0.31 -0.22 -0.00 0.00 0.00 175.17 175.48 3app s LEU 39 N -1.78 5.10 0.11 1.23 0.20 -1.26 -1.05 118.68 121.22 3app s LEU 39 Ca 0.21 -2.54 0.09 0.00 0.69 0.00 0.00 54.13 52.59 3app s LEU 39 Cb -0.11 -1.80 -0.04 0.00 -0.43 0.00 0.00 46.19 43.80 3app s LEU 39 CO 0.12 -0.41 -0.21 -1.66 -0.29 0.00 0.00 176.35 173.89 3app s TRP 40 N 0.40 2.45 0.04 5.38 1.48 -0.85 -0.37 118.94 127.46 3app s TRP 40 Ca 0.13 -0.31 -0.01 0.00 -1.06 0.00 0.00 56.10 54.86 3app s TRP 40 Cb -0.22 -1.33 -0.03 0.00 -1.16 0.00 0.00 33.47 30.73 3app s TRP 40 CO -0.04 0.34 -0.03 0.14 -4.06 0.00 0.00 176.95 173.30 3app s VAL 41 N -1.07 0.18 0.41 -0.66 -7.23 0.41 -0.85 120.40 111.59 3app s VAL 41 Ca 0.16 -1.42 -0.26 0.00 -1.81 0.00 0.00 61.98 58.65 3app s VAL 41 Cb -0.10 -0.98 -0.09 0.00 0.56 0.00 0.00 36.38 35.77 3app s VAL 41 CO 0.08 -0.78 1.33 -0.36 -0.31 0.00 0.00 175.10 175.06 3app s PHE 42 N -2.86 2.75 0.27 2.82 0.40 -0.63 -0.35 117.98 120.38 3app s PHE 42 Ca -0.03 1.37 0.02 0.00 -0.60 0.00 0.00 56.93 57.70 3app s PHE 42 Cb 0.00 -3.73 -0.03 0.00 0.51 0.00 0.00 43.02 39.77 3app s PHE 42 CO -0.06 -2.27 0.24 -1.54 0.70 0.00 0.00 175.22 172.28 3app s SER 43 N -0.67 0.85 0.00 1.36 1.04 -1.26 -1.47 113.70 113.55 3app s SER 43 Ca 0.57 -1.54 0.22 0.00 0.48 0.00 0.00 55.95 55.69 3app s SER 43 Cb -0.39 0.49 1.10 0.00 0.10 0.00 0.00 66.02 67.31 3app s SER 43 CO 0.51 -0.99 1.70 0.35 0.98 0.00 0.00 173.24 175.79 3app n THR 44 N -0.45 0.32 0.65 2.02 -2.24 -0.51 -2.07 114.28 112.00 3app n THR 44 Ca 0.04 0.08 0.13 0.00 -2.27 0.00 0.00 64.05 62.03 3app n THR 44 Cb 0.64 -0.72 0.39 0.00 -2.10 0.00 0.00 70.33 68.54 3app n THR 44 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 3app n GLU 45 N -1.28 0.25 -1.68 -0.78 1.02 -1.26 -4.82 120.64 112.09 3app n GLU 45 Ca 0.10 0.18 -0.31 0.00 -0.02 0.00 0.00 57.16 57.12 3app n GLU 45 Cb 0.17 -1.77 0.04 0.00 -0.02 0.00 0.00 31.44 29.86 3app n GLU 45 CO 0.00 0.00 0.00 -0.51 1.18 0.00 0.00 177.13 177.80 3app s LEU 46 N -4.38 3.18 0.30 -4.62 1.43 -0.88 -4.79 118.68 108.93 3app s LEU 46 Ca 0.10 1.59 -0.30 0.00 -1.03 0.00 0.00 54.13 54.50 3app s LEU 46 Cb 0.13 -4.49 -0.12 0.00 0.03 0.00 0.00 46.19 41.73 3app s LEU 46 CO 0.61 -1.29 1.44 -2.65 0.23 0.00 0.00 176.35 174.68 3app n PRO 47 N -2.95 2.33 -0.37 1.29 -0.02 -1.26 -4.82 135.00 129.20 3app n PRO 47 Ca 0.07 0.82 0.32 0.00 -2.02 0.00 0.00 63.50 62.70 3app n PRO 47 Cb 0.54 -2.50 0.65 0.00 -0.02 0.00 0.00 33.50 32.16 3app n PRO 47 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 3app h ALA 48 N 3.72 2.79 0.00 3.55 0.00 -1.95 -0.14 119.26 127.23 3app h ALA 48 Ca -0.47 0.02 -0.09 0.00 0.00 0.00 0.00 54.91 54.37 3app h ALA 48 Cb 1.26 0.09 -0.01 0.00 0.00 0.00 0.00 17.79 19.13 3app h ALA 48 CO 0.71 -1.22 -0.43 0.66 0.00 0.00 0.00 179.25 178.97 3app h SER 49 N 0.16 0.00 0.97 0.00 4.64 -1.99 -2.83 113.55 114.49 3app h SER 49 Ca 0.65 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.97 3app h SER 49 Cb 2.16 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.25 3app h SER 49 CO -0.18 0.43 -0.71 1.56 -0.87 0.00 0.00 176.83 177.06 3app h GLN 50 N 0.00 0.00 0.00 4.77 4.20 -1.37 -3.24 115.11 119.46 3app h GLN 50 Ca -0.00 0.00 -0.01 0.00 0.06 0.00 0.00 58.65 58.70 3app h GLN 50 Cb 0.87 0.00 -0.00 0.00 0.30 0.00 0.00 27.48 28.65 3app h GLN 50 CO 0.06 0.00 -0.04 1.96 -0.67 0.00 0.00 178.83 180.14 3app h GLN 51 N 0.00 0.00 -6.66 1.46 4.20 -1.26 -3.47 115.11 109.39 3app h GLN 51 Ca 0.00 0.00 -0.52 0.00 0.06 0.00 0.00 58.65 58.19 3app h GLN 51 Cb 0.84 0.00 0.05 0.00 0.30 0.00 0.00 27.48 28.67 3app h GLN 51 CO 0.00 0.04 0.89 -1.54 -0.67 0.00 0.00 178.83 177.55 3app s SER 52 N -6.19 6.53 0.00 1.46 1.04 -1.21 -2.39 113.70 112.94 3app s SER 52 Ca 0.06 2.71 0.00 0.00 0.48 0.00 0.00 55.95 59.20 3app s SER 52 Cb 0.06 -2.60 0.00 0.00 0.10 0.00 0.00 66.02 63.57 3app s SER 52 CO 0.67 -0.85 0.00 0.61 0.98 0.00 0.00 173.24 174.65 3app n GLY 53 N 3.43 0.51 3.09 7.32 0.00 -1.26 -5.02 105.19 113.26 3app n GLY 53 Ca 0.13 -0.88 -0.07 0.00 0.00 0.00 0.00 46.02 45.19 3app n GLY 53 CO 0.00 0.00 0.00 0.30 0.00 0.00 0.00 173.32 173.62 3app s HIS 54 N -2.00 0.49 -0.08 1.61 4.02 -1.01 -4.79 115.29 113.53 3app s HIS 54 Ca 0.00 -1.01 -0.18 0.00 1.02 0.00 0.00 55.06 54.89 3app s HIS 54 Cb 0.00 -0.36 -0.05 0.00 -1.02 0.00 0.00 32.58 31.15 3app s HIS 54 CO 0.00 -0.37 0.49 -1.12 1.02 0.00 0.00 174.74 174.76 3app s SER 55 N -2.80 6.75 0.16 1.40 0.01 -1.26 -5.05 113.70 112.91 3app s SER 55 Ca 0.05 0.89 0.11 0.00 1.31 0.00 0.00 55.95 58.31 3app s SER 55 Cb 0.06 -2.29 -0.04 0.00 0.21 0.00 0.00 66.02 63.96 3app s SER 55 CO -0.09 0.06 -0.25 0.68 0.41 0.00 0.00 173.24 174.04 3app s VAL 56 N 0.28 2.30 0.06 3.43 -7.23 -1.26 -4.75 120.40 113.23 3app s VAL 56 Ca 0.26 -1.90 -0.20 0.00 -1.81 0.00 0.00 61.98 58.33 3app s VAL 56 Cb -0.16 -2.06 -0.06 0.00 0.56 0.00 0.00 36.38 34.66 3app s VAL 56 CO 0.12 -0.02 0.60 -0.47 -0.31 0.00 0.00 175.10 175.02 3app s TYR 57 N -1.39 3.78 -0.41 2.82 6.04 -0.54 -4.87 117.35 122.78 3app s TYR 57 Ca 0.17 1.29 -0.05 0.00 0.04 0.00 0.00 57.07 58.53 3app s TYR 57 Cb -0.09 -2.56 0.10 0.00 -1.04 0.00 0.00 41.96 38.37 3app s TYR 57 CO 0.08 0.51 0.22 1.21 -1.54 0.00 0.00 175.55 176.03 3app s ASN 58 N -0.83 5.38 0.38 4.32 2.47 -1.26 -1.42 114.94 123.99 3app s ASN 58 Ca 0.30 -1.85 0.05 0.00 0.42 0.00 0.00 52.86 51.78 3app s ASN 58 Cb -0.20 -1.88 0.76 0.00 -1.45 0.00 0.00 41.25 38.48 3app s ASN 58 CO 0.19 -0.55 2.04 -0.65 -3.72 0.00 0.00 177.10 174.41 3app h PRO 59 N 8.19 0.67 0.00 0.43 0.11 -1.97 -2.57 132.00 136.86 3app h PRO 59 Ca -0.17 -0.04 -0.03 0.00 0.11 0.00 0.00 66.00 65.86 3app h PRO 59 Cb 1.06 -0.15 -0.00 0.00 0.11 0.00 0.00 31.00 32.01 3app h PRO 59 CO 0.73 0.44 -0.16 0.66 -0.21 0.00 0.00 178.00 179.46 3app h SER 60 N 0.69 0.00 -0.05 -2.05 4.64 -1.93 0.30 113.55 115.15 3app h SER 60 Ca 0.19 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.50 3app h SER 60 Cb -0.08 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 62.01 3app h SER 60 CO -0.04 0.16 0.00 0.00 -0.87 0.00 0.00 176.83 176.08 3app h ALA 61 N 1.84 0.06 0.00 5.18 0.00 -1.90 -3.41 119.26 121.03 3app h ALA 61 Ca -0.00 -0.17 0.00 0.00 0.00 0.00 0.00 54.91 54.74 3app h ALA 61 Cb 0.43 -0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.20 3app h ALA 61 CO 0.02 -0.27 -0.06 0.25 0.00 0.00 0.00 179.25 179.19 3app n THR 62 N -4.88 0.00 -2.68 0.00 -2.24 -1.19 -5.11 114.28 98.18 3app n THR 62 Ca -0.07 -0.14 -0.32 0.00 -2.27 0.00 0.00 64.05 61.26 3app n THR 62 Cb 0.18 0.85 -0.04 0.00 -2.10 0.00 0.00 70.33 69.23 3app n THR 62 CO 0.00 0.00 0.00 -0.83 -0.57 0.00 0.00 175.07 173.67 3app s GLY 63 N -0.39 2.08 -0.28 3.38 0.00 0.10 -4.87 107.32 107.34 3app s GLY 63 Ca 0.00 0.04 -0.12 0.00 0.00 0.00 0.00 44.72 44.64 3app s GLY 63 CO 0.00 0.28 0.23 0.54 0.00 0.00 0.00 173.10 174.15 3app s LYS 64 N -3.80 3.93 0.29 2.90 -0.14 -0.36 -4.82 119.74 117.74 3app s LYS 64 Ca 0.56 -0.27 -0.29 0.00 -1.36 0.00 0.00 55.97 54.61 3app s LYS 64 Cb -0.10 -3.67 -0.09 0.00 -1.68 0.00 0.00 37.83 32.29 3app s LYS 64 CO 0.28 -0.22 1.05 -2.00 -0.76 0.00 0.00 175.35 173.70 3app s GLU 65 N 1.82 4.63 -0.68 1.68 2.12 -1.26 -0.70 118.70 126.31 3app s GLU 65 Ca 0.09 1.68 -0.14 0.00 0.36 0.00 0.00 54.97 56.95 3app s GLU 65 Cb -0.16 -3.12 0.18 0.00 0.26 0.00 0.00 34.13 31.29 3app s GLU 65 CO 0.11 0.25 0.62 -0.51 -0.54 0.00 0.00 175.26 175.19 3app s LEU 66 N -1.55 6.41 0.20 2.70 1.43 -0.70 -4.92 118.68 122.24 3app s LEU 66 Ca 0.45 -2.30 -0.31 0.00 -1.03 0.00 0.00 54.13 50.95 3app s LEU 66 Cb -0.29 -2.18 -0.10 0.00 0.03 0.00 0.00 46.19 43.65 3app s LEU 66 CO 0.37 -0.68 1.56 -0.55 0.23 0.00 0.00 176.35 177.27 3app s SER 67 N 2.70 6.56 0.00 2.29 0.15 -1.26 -2.02 113.70 122.11 3app s SER 67 Ca 0.11 2.68 0.00 0.00 0.70 0.00 0.00 55.95 59.44 3app s SER 67 Cb -0.19 -2.60 0.00 0.00 -1.71 0.00 0.00 66.02 61.51 3app s SER 67 CO -0.03 -0.82 0.00 0.61 1.20 0.00 0.00 173.24 174.20 3app n GLY 68 N 3.30 1.19 3.83 9.45 0.00 -1.26 -5.03 105.19 116.67 3app n GLY 68 Ca 0.12 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.80 3app n GLY 68 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3app s TYR 69 N -3.09 3.51 0.15 1.61 1.51 -0.86 -4.63 117.35 115.54 3app s TYR 69 Ca 0.00 1.29 -0.01 0.00 -1.01 0.00 0.00 57.07 57.34 3app s TYR 69 Cb 0.00 -2.56 -0.04 0.00 -0.11 0.00 0.00 41.96 39.24 3app s TYR 69 CO 0.00 0.22 0.06 0.95 -1.11 0.00 0.00 175.55 175.67 3app s THR 70 N -1.76 0.15 0.09 -0.71 -4.23 -0.06 -3.90 115.64 105.21 3app s THR 70 Ca 0.48 -1.93 -0.09 0.00 -1.18 0.00 0.00 61.69 58.98 3app s THR 70 Cb -0.13 -2.13 -0.00 0.00 1.34 0.00 0.00 72.50 71.58 3app s THR 70 CO 0.19 -0.39 0.19 -1.66 -0.54 0.00 0.00 174.62 172.41 3app s TRP 71 N -4.02 0.15 -0.29 3.99 1.48 -0.98 0.28 118.94 119.54 3app s TRP 71 Ca 0.26 -0.57 -0.22 0.00 -1.06 0.00 0.00 56.10 54.51 3app s TRP 71 Cb 0.07 -0.06 0.15 0.00 -1.16 0.00 0.00 33.47 32.48 3app s TRP 71 CO 0.04 -0.54 1.14 0.45 -4.06 0.00 0.00 176.95 173.97 3app s SER 72 N -2.84 -0.34 -0.01 -2.66 0.15 -1.26 -2.17 113.70 104.57 3app s SER 72 Ca 0.05 0.60 0.02 0.00 0.70 0.00 0.00 55.95 57.32 3app s SER 72 Cb 0.05 0.79 0.00 0.00 -1.71 0.00 0.00 66.02 65.15 3app s SER 72 CO -0.11 -0.10 -0.06 -0.63 1.20 0.00 0.00 173.24 173.54 3app s ILE 73 N 0.53 0.52 -0.06 6.45 1.01 -0.25 -4.90 121.20 124.49 3app s ILE 73 Ca 0.00 -0.24 0.02 0.00 0.00 0.00 0.00 60.65 60.44 3app s ILE 73 Cb -0.04 -0.46 0.01 0.00 0.01 0.00 0.00 42.46 41.98 3app s ILE 73 CO -0.11 0.16 -0.13 -0.55 0.00 0.00 0.00 174.94 174.32 3app s SER 74 N 0.10 1.82 0.26 3.58 0.15 -1.26 -1.61 113.70 116.74 3app s SER 74 Ca -0.01 -0.31 0.06 0.00 0.70 0.00 0.00 55.95 56.40 3app s SER 74 Cb -0.05 -0.83 -0.03 0.00 -1.71 0.00 0.00 66.02 63.40 3app s SER 74 CO -0.00 0.04 0.30 -0.31 1.20 0.00 0.00 173.24 174.47 3app s TYR 75 N 0.62 3.22 0.11 3.44 1.51 0.81 -5.00 117.35 122.06 3app s TYR 75 Ca -0.14 -0.11 0.34 0.00 -1.01 0.00 0.00 57.07 56.15 3app s TYR 75 Cb -0.16 -1.57 1.51 0.00 -0.11 0.00 0.00 41.96 41.64 3app s TYR 75 CO 0.04 0.40 2.00 0.78 -1.11 0.00 0.00 175.55 177.67 3app h GLY 76 N 1.28 0.00 0.96 0.71 0.00 -2.02 -1.10 103.07 102.91 3app h GLY 76 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 3app h GLY 76 CO 0.60 0.00 -0.12 2.09 0.00 0.00 0.00 176.54 179.11 3app n ASP 77 N -2.91 0.45 0.00 0.19 3.85 -1.26 -4.90 116.55 111.96 3app n ASP 77 Ca 0.00 -0.51 0.00 0.00 -0.71 0.00 0.00 54.79 53.57 3app n ASP 77 Cb 0.23 -0.08 0.00 0.00 -1.35 0.00 0.00 41.12 39.92 3app n ASP 77 CO 0.00 0.00 0.00 0.61 -1.01 0.00 0.00 177.20 176.80 3app n GLY 78 N 1.30 0.72 3.95 6.12 0.00 -0.42 -5.08 105.19 111.78 3app n GLY 78 Ca 0.14 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.92 3app n GLY 78 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 3app s SER 79 N -2.57 5.17 -0.01 1.61 1.04 -1.25 -4.87 113.70 112.82 3app s SER 79 Ca 0.00 0.31 -0.29 0.00 0.48 0.00 0.00 55.95 56.46 3app s SER 79 Cb 0.00 -1.14 0.10 0.00 0.10 0.00 0.00 66.02 65.08 3app s SER 79 CO 0.00 -1.29 0.88 -0.94 0.98 0.00 0.00 173.24 172.87 3app s SER 80 N -4.43 -0.39 -0.09 7.02 1.04 -1.26 -0.14 113.70 115.45 3app s SER 80 Ca 0.57 0.06 -0.24 0.00 0.48 0.00 0.00 55.95 56.82 3app s SER 80 Cb -0.10 0.39 0.06 0.00 0.10 0.00 0.00 66.02 66.46 3app s SER 80 CO 0.42 -0.61 0.57 0.00 0.98 0.00 0.00 173.24 174.60 3app s ALA 81 N -2.90 -1.46 0.23 5.32 0.00 -0.63 -0.87 121.76 121.44 3app s ALA 81 Ca 0.04 1.20 -0.16 0.00 0.00 0.00 0.00 51.96 53.04 3app s ALA 81 Cb -0.01 -0.27 0.01 0.00 0.00 0.00 0.00 23.12 22.86 3app s ALA 81 CO -0.08 -0.32 0.54 -1.54 0.00 0.00 0.00 175.76 174.36 3app s SER 82 N -0.78 -0.18 0.00 0.00 1.04 -0.68 -1.09 113.70 112.01 3app s SER 82 Ca -0.08 -0.70 0.00 0.00 0.48 0.00 0.00 55.95 55.65 3app s SER 82 Cb -0.02 0.61 0.00 0.00 0.10 0.00 0.00 66.02 66.71 3app s SER 82 CO 0.06 -1.15 0.00 0.61 0.98 0.00 0.00 173.24 173.74 3app n GLY 83 N -0.38 -0.65 1.76 7.32 0.00 -0.92 -0.36 105.19 111.97 3app n GLY 83 Ca -0.05 -0.53 -0.16 0.00 0.00 0.00 0.00 46.02 45.28 3app n GLY 83 CO 0.00 0.00 0.00 1.16 0.00 0.00 0.00 173.32 174.48 3app n ASN 84 N 0.00 2.65 -3.98 1.61 6.94 -0.79 -2.32 115.26 119.38 3app n ASN 84 Ca 0.00 -2.07 -0.16 0.00 -0.02 0.00 0.00 54.58 52.33 3app n ASN 84 Cb 0.00 0.17 -0.14 0.00 -2.36 0.00 0.00 39.78 37.44 3app n ASN 84 CO 0.00 0.00 0.00 -0.69 -1.03 0.00 0.00 177.26 175.54 3app s VAL 85 N -1.87 0.48 0.14 3.53 1.01 -1.25 -1.04 120.40 121.40 3app s VAL 85 Ca 0.01 -0.35 0.04 0.00 0.00 0.00 0.00 61.98 61.67 3app s VAL 85 Cb -0.00 -0.42 -0.04 0.00 0.00 0.00 0.00 36.38 35.91 3app s VAL 85 CO 0.00 0.07 -0.10 -0.36 0.00 0.00 0.00 175.10 174.71 3app s PHE 86 N -0.29 1.23 -0.03 5.22 0.40 -0.47 -1.72 117.98 122.32 3app s PHE 86 Ca 0.01 -0.75 0.02 0.00 -0.60 0.00 0.00 56.93 55.61 3app s PHE 86 Cb -0.03 -0.63 -0.03 0.00 0.51 0.00 0.00 43.02 42.83 3app s PHE 86 CO -0.00 0.06 -0.07 0.95 0.70 0.00 0.00 175.22 176.86 3app s THR 87 N -3.24 3.66 0.36 0.64 -4.23 0.12 0.96 115.64 113.91 3app s THR 87 Ca 0.15 -0.63 -0.08 0.00 -1.18 0.00 0.00 61.69 59.95 3app s THR 87 Cb 0.02 -2.54 0.03 0.00 1.34 0.00 0.00 72.50 71.36 3app s THR 87 CO 0.00 0.50 0.62 -0.67 -0.54 0.00 0.00 174.62 174.53 3app n ASP 88 N 1.91 -1.76 -4.69 3.99 4.64 -0.27 -1.22 116.55 119.14 3app n ASP 88 Ca -0.17 -2.64 -0.38 0.00 -1.38 0.00 0.00 54.79 50.22 3app n ASP 88 Cb 0.53 3.06 -0.07 0.00 -1.04 0.00 0.00 41.12 43.60 3app n ASP 88 CO 0.00 0.00 0.00 -0.94 -0.82 0.00 0.00 177.20 175.44 3app s SER 89 N -3.00 6.48 -0.14 1.67 1.04 -1.26 -0.39 113.70 118.10 3app s SER 89 Ca 0.21 0.57 0.01 0.00 0.48 0.00 0.00 55.95 57.22 3app s SER 89 Cb -0.03 -2.23 0.02 0.00 0.10 0.00 0.00 66.02 63.88 3app s SER 89 CO 0.15 -0.04 -0.16 -0.69 0.98 0.00 0.00 173.24 173.48 3app s VAL 90 N 1.06 1.68 -0.13 5.02 1.01 -0.01 -0.91 120.40 128.11 3app s VAL 90 Ca 0.20 -0.72 0.00 0.00 0.00 0.00 0.00 61.98 61.46 3app s VAL 90 Cb -0.14 -1.54 -0.01 0.00 0.00 0.00 0.00 36.38 34.69 3app s VAL 90 CO 0.08 0.48 -0.14 -0.89 0.00 0.00 0.00 175.10 174.62 3app s THR 91 N 1.21 2.89 -0.15 3.92 2.01 0.53 -0.06 115.64 126.00 3app s THR 91 Ca -0.00 -0.72 -0.01 0.00 0.31 0.00 0.00 61.69 61.27 3app s THR 91 Cb -0.14 -2.21 0.04 0.00 0.01 0.00 0.00 72.50 70.21 3app s THR 91 CO -0.07 0.53 -0.03 -0.69 -0.69 0.00 0.00 174.62 173.67 3app s VAL 92 N 0.42 0.89 -1.49 3.82 1.01 0.41 -1.68 120.40 123.78 3app s VAL 92 Ca -0.11 -0.47 -0.12 0.00 0.00 0.00 0.00 61.98 61.27 3app s VAL 92 Cb -0.16 -1.11 0.08 0.00 0.00 0.00 0.00 36.38 35.20 3app s VAL 92 CO 0.05 0.11 0.80 0.61 0.00 0.00 0.00 175.10 176.67 3app n GLY 93 N 4.95 -0.49 2.37 4.51 0.00 -1.26 -0.66 105.19 114.60 3app n GLY 93 Ca -0.11 0.15 0.00 0.00 0.00 0.00 0.00 46.02 46.07 3app n GLY 93 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3app n GLY 94 N -1.50 0.86 3.62 -0.02 0.00 -1.26 -3.50 105.19 103.39 3app n GLY 94 Ca 0.02 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.67 3app n GLY 94 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 3app s VAL 95 N -3.41 5.16 -0.16 1.61 1.01 0.16 -5.01 120.40 119.77 3app s VAL 95 Ca 0.00 0.11 -0.02 0.00 0.00 0.00 0.00 61.98 62.07 3app s VAL 95 Cb 0.00 -3.41 -0.02 0.00 0.00 0.00 0.00 36.38 32.95 3app s VAL 95 CO 0.00 0.34 -0.07 -0.89 0.00 0.00 0.00 175.10 174.48 3app s THR 96 N 1.19 3.52 -0.35 3.92 2.01 -1.26 -0.44 115.64 124.22 3app s THR 96 Ca 0.07 -0.49 -0.11 0.00 0.31 0.00 0.00 61.69 61.47 3app s THR 96 Cb -0.14 -2.53 0.01 0.00 0.01 0.00 0.00 72.50 69.85 3app s THR 96 CO 0.05 0.49 0.20 0.00 -0.69 0.00 0.00 174.62 174.68 3app s ALA 97 N 0.51 3.31 0.04 7.40 0.00 0.92 -4.96 121.76 128.99 3app s ALA 97 Ca -0.05 -1.58 -0.23 0.00 0.00 0.00 0.00 51.96 50.09 3app s ALA 97 Cb -0.15 -2.55 -0.06 0.00 0.00 0.00 0.00 23.12 20.36 3app s ALA 97 CO 0.03 -1.20 0.70 -1.01 0.00 0.00 0.00 175.76 174.28 3app s HIS 98 N 1.60 3.74 -0.72 0.00 0.09 -1.26 -0.83 115.29 117.91 3app s HIS 98 Ca 0.03 1.39 0.00 0.00 -0.00 0.00 0.00 55.06 56.48 3app s HIS 98 Cb -0.18 -2.72 0.00 0.00 -0.00 0.00 0.00 32.58 29.67 3app s HIS 98 CO 0.07 0.35 0.00 0.41 -0.00 0.00 0.00 174.74 175.57 3app n GLY 99 N 2.28 0.08 3.77 -2.22 0.00 -1.11 -4.99 105.19 102.99 3app n GLY 99 Ca -0.05 -0.55 -0.39 0.00 0.00 0.00 0.00 46.02 45.04 3app n GLY 99 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3app s GLN 100 N -4.32 4.18 0.07 1.61 2.00 0.48 -4.64 119.66 119.05 3app s GLN 100 Ca 0.00 1.90 -0.30 0.00 -2.00 0.00 0.00 55.36 54.96 3app s GLN 100 Cb 0.00 -2.81 -0.05 0.00 0.80 0.00 0.00 33.01 30.94 3app s GLN 100 CO 0.00 -0.23 1.10 0.00 -0.50 0.00 0.00 175.29 175.66 3app s ALA 101 N -1.33 3.31 -0.18 1.58 0.00 -1.26 -1.11 121.76 122.77 3app s ALA 101 Ca 0.54 0.73 0.01 0.00 0.00 0.00 0.00 51.96 53.24 3app s ALA 101 Cb -0.32 -3.38 0.01 0.00 0.00 0.00 0.00 23.12 19.43 3app s ALA 101 CO 0.41 -0.29 -0.18 0.08 0.00 0.00 0.00 175.76 175.78 3app s VAL 102 N 0.68 2.24 -0.58 0.00 1.01 0.27 -4.75 120.40 119.27 3app s VAL 102 Ca 0.54 -0.89 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 3app s VAL 102 Cb -0.27 -1.94 0.07 0.00 0.00 0.00 0.00 36.38 34.24 3app s VAL 102 CO 0.30 0.53 0.79 -1.10 0.00 0.00 0.00 175.10 175.61 3app s GLN 103 N 1.22 3.13 -0.02 2.72 -0.21 0.50 -1.37 119.66 125.63 3app s GLN 103 Ca 0.03 -0.89 -0.30 0.00 0.02 0.00 0.00 55.36 54.22 3app s GLN 103 Cb -0.14 -4.17 -0.03 0.00 1.00 0.00 0.00 33.01 29.68 3app s GLN 103 CO -0.10 -1.51 0.97 0.00 -2.12 0.00 0.00 175.29 172.54 3app s ALA 104 N 3.23 3.20 0.16 6.09 0.00 -0.21 -0.45 121.76 133.78 3app s ALA 104 Ca 0.18 0.50 -0.30 0.00 0.00 0.00 0.00 51.96 52.34 3app s ALA 104 Cb -0.19 -3.34 -0.07 0.00 0.00 0.00 0.00 23.12 19.52 3app s ALA 104 CO 0.11 -0.28 0.99 0.00 0.00 0.00 0.00 175.76 176.57 3app s ALA 105 N 1.15 3.29 -0.04 0.00 0.00 0.53 -1.88 121.76 124.81 3app s ALA 105 Ca 0.51 0.64 0.07 0.00 0.00 0.00 0.00 51.96 53.18 3app s ALA 105 Cb -0.20 -3.28 -0.10 0.00 0.00 0.00 0.00 23.12 19.53 3app s ALA 105 CO 0.26 -0.01 0.10 1.04 0.00 0.00 0.00 175.76 177.15 3app n GLN 106 N 2.39 1.55 -3.81 0.00 6.02 0.52 -3.91 117.38 120.14 3app n GLN 106 Ca 0.01 -0.04 -0.13 0.00 -0.01 0.00 0.00 57.00 56.84 3app n GLN 106 Cb 0.48 -1.19 -0.13 0.00 1.02 0.00 0.00 30.24 30.42 3app n GLN 106 CO 0.00 0.00 0.00 -0.65 -1.01 0.00 0.00 177.06 175.40 3app s GLN 107 N -2.35 0.14 0.01 -1.09 -1.52 -0.86 -4.59 119.66 109.40 3app s GLN 107 Ca -0.03 0.23 -0.01 0.00 -1.95 0.00 0.00 55.36 53.60 3app s GLN 107 Cb 0.04 0.02 -0.01 0.00 -0.22 0.00 0.00 33.01 32.83 3app s GLN 107 CO 0.31 -0.05 0.01 0.96 -0.25 0.00 0.00 175.29 176.26 3app s ILE 108 N 0.33 0.07 0.82 1.08 -4.36 -1.26 -1.69 121.20 116.19 3app s ILE 108 Ca -0.02 -0.61 -0.11 0.00 -0.26 0.00 0.00 60.65 59.65 3app s ILE 108 Cb -0.03 -0.21 0.11 0.00 1.25 0.00 0.00 42.46 43.57 3app s ILE 108 CO -0.01 -0.33 1.17 -0.94 0.24 0.00 0.00 174.94 175.06 3app s SER 109 N -1.00 4.23 0.24 4.36 1.04 -0.05 -4.84 113.70 117.68 3app s SER 109 Ca -0.11 0.53 -0.05 0.00 0.48 0.00 0.00 55.95 56.81 3app s SER 109 Cb -0.07 -0.95 0.38 0.00 0.10 0.00 0.00 66.02 65.49 3app s SER 109 CO -0.00 -2.04 1.80 0.00 0.98 0.00 0.00 173.24 173.98 3app h ALA 110 N -1.08 1.13 -0.34 5.32 0.00 -1.95 -1.63 119.26 120.71 3app h ALA 110 Ca -0.45 0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.53 3app h ALA 110 Cb 1.30 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 18.96 3app h ALA 110 CO 0.57 0.06 0.23 -0.56 0.00 0.00 0.00 179.25 179.54 3app h GLN 111 N 0.74 0.33 0.16 0.00 -0.00 -1.96 0.14 115.11 114.52 3app h GLN 111 Ca 0.39 -0.02 -0.29 0.00 -0.00 0.00 0.00 58.65 58.72 3app h GLN 111 Cb 0.37 -0.08 0.02 0.00 -0.00 0.00 0.00 27.48 27.79 3app h GLN 111 CO -0.25 0.22 -1.30 0.74 -0.00 0.00 0.00 178.83 178.24 3app h PHE 112 N 0.34 0.73 -0.10 0.06 -1.00 -1.67 -3.07 116.94 112.23 3app h PHE 112 Ca 0.14 -0.51 0.04 0.00 2.81 0.00 0.00 57.97 60.45 3app h PHE 112 Cb 0.13 -0.04 -0.06 0.00 3.61 0.00 0.00 35.95 39.59 3app h PHE 112 CO -0.00 1.39 -0.31 1.96 -1.61 0.00 0.00 178.31 179.74 3app h GLN 113 N 0.14 -0.39 0.00 1.51 4.20 -0.94 -2.42 115.11 117.21 3app h GLN 113 Ca -0.18 0.03 -0.02 0.00 0.06 0.00 0.00 58.65 58.54 3app h GLN 113 Cb 2.00 0.09 -0.00 0.00 0.30 0.00 0.00 27.48 29.87 3app h GLN 113 CO 0.23 -0.26 -0.07 1.96 -0.67 0.00 0.00 178.83 180.02 3app h GLN 114 N -0.40 0.00 -4.95 1.46 4.20 -0.81 -3.39 115.11 111.21 3app h GLN 114 Ca 0.09 0.00 -0.70 0.00 0.06 0.00 0.00 58.65 58.10 3app h GLN 114 Cb 0.54 0.00 -0.18 0.00 0.30 0.00 0.00 27.48 28.14 3app h GLN 114 CO -0.32 0.07 0.82 0.34 -0.67 0.00 0.00 178.83 179.07 3app s ASP 115 N -5.90 6.66 0.00 1.46 2.15 -0.91 -4.87 116.67 115.26 3app s ASP 115 Ca -0.03 -2.12 0.16 0.00 0.43 0.00 0.00 52.55 50.99 3app s ASP 115 Cb 0.12 -2.39 0.95 0.00 -0.30 0.00 0.00 42.92 41.31 3app s ASP 115 CO 0.54 -1.02 1.54 0.35 -0.17 0.00 0.00 175.17 176.41 3app n THR 116 N 5.38 0.00 0.13 1.71 -2.24 -1.26 -3.33 114.28 114.67 3app n THR 116 Ca 0.24 0.00 -0.00 0.00 -2.27 0.00 0.00 64.05 62.02 3app n THR 116 Cb 0.49 -0.33 0.12 0.00 -2.10 0.00 0.00 70.33 68.51 3app n THR 116 CO 0.00 0.00 0.00 0.78 -0.57 0.00 0.00 175.07 175.28 3app h ASN 117 N 0.00 0.00 -3.68 3.42 2.35 -1.89 -3.45 115.58 112.33 3app h ASN 117 Ca 0.00 0.00 -0.40 0.00 -0.55 0.00 0.00 56.30 55.35 3app h ASN 117 Cb 0.00 0.00 -0.14 0.00 0.05 0.00 0.00 38.32 38.23 3app h ASN 117 CO 0.00 0.63 -0.66 0.54 -1.65 0.00 0.00 177.43 176.29 3app s ASN 118 N -6.66 2.02 -0.12 5.81 2.20 -1.21 -4.92 114.94 112.07 3app s ASN 118 Ca 0.00 -1.21 0.17 0.00 -0.94 0.00 0.00 52.86 50.89 3app s ASN 118 Cb 0.11 -0.03 0.26 0.00 -2.00 0.00 0.00 41.25 39.59 3app s ASN 118 CO 0.75 -0.48 1.14 0.47 -2.94 0.00 0.00 177.10 176.04 3app n ASP 119 N -0.45 2.31 0.00 3.54 8.00 0.57 -4.95 116.55 125.57 3app n ASP 119 Ca -0.05 -2.99 0.00 0.00 0.71 0.00 0.00 54.79 52.46 3app n ASP 119 Cb 0.64 -0.39 0.00 0.00 -0.02 0.00 0.00 41.12 41.35 3app n ASP 119 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3app n GLY 120 N -1.35 0.74 3.09 0.44 0.00 -1.26 -1.61 105.19 105.25 3app n GLY 120 Ca 0.15 -1.82 -0.17 0.00 0.00 0.00 0.00 46.02 44.17 3app n GLY 120 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3app s LEU 121 N 0.00 2.18 -0.31 0.99 1.43 -0.03 -1.58 118.68 121.36 3app s LEU 121 Ca 0.00 -0.44 -0.00 0.00 -1.03 0.00 0.00 54.13 52.65 3app s LEU 121 Cb 0.00 -0.41 0.07 0.00 0.03 0.00 0.00 46.19 45.87 3app s LEU 121 CO 0.00 -0.04 0.02 -0.22 0.23 0.00 0.00 176.35 176.33 3app s LEU 122 N -1.17 4.12 0.03 1.79 0.20 -0.65 -2.01 118.68 120.99 3app s LEU 122 Ca -0.02 -1.50 -0.30 0.00 0.69 0.00 0.00 54.13 52.99 3app s LEU 122 Cb -0.08 -1.69 -0.05 0.00 -0.43 0.00 0.00 46.19 43.94 3app s LEU 122 CO 0.01 -0.30 1.25 -0.83 -0.29 0.00 0.00 176.35 176.19 3app s GLY 123 N 1.28 2.21 -0.05 7.98 0.00 -0.22 -0.18 107.32 118.34 3app s GLY 123 Ca -0.02 0.84 0.07 0.00 0.00 0.00 0.00 44.72 45.60 3app s GLY 123 CO -0.03 2.19 1.02 1.04 0.00 0.00 0.00 173.10 177.32 3app n LEU 124 N 4.43 1.91 -4.75 0.66 4.77 0.17 -4.39 117.00 119.81 3app n LEU 124 Ca 0.10 -2.23 -0.30 0.00 -0.03 0.00 0.00 56.01 53.56 3app n LEU 124 Cb 0.45 -0.16 0.23 0.00 -2.33 0.00 0.00 43.42 41.61 3app n LEU 124 CO 0.56 0.53 0.75 0.00 -1.33 0.00 0.00 177.39 177.90 3app s ALA 125 N -1.58 1.31 0.49 -1.18 0.00 0.00 -4.76 121.76 116.04 3app s ALA 125 Ca 0.12 -1.17 -0.21 0.00 0.00 0.00 0.00 51.96 50.70 3app s ALA 125 Cb 0.10 -2.80 -0.07 0.00 0.00 0.00 0.00 23.12 20.35 3app s ALA 125 CO 0.01 -3.19 1.09 -0.06 0.00 0.00 0.00 175.76 173.62 3app s PHE 126 N -3.45 2.88 0.55 0.00 0.40 -0.50 -4.75 117.98 113.11 3app s PHE 126 Ca 0.74 1.57 0.31 0.00 -0.60 0.00 0.00 56.93 58.94 3app s PHE 126 Cb -0.05 -3.20 1.79 0.00 0.51 0.00 0.00 43.02 42.07 3app s PHE 126 CO 0.55 -1.19 2.22 0.77 0.70 0.00 0.00 175.22 178.27 3app h SER 127 N 1.60 0.00 0.00 1.36 0.02 -1.89 -2.68 113.55 111.95 3app h SER 127 Ca -0.50 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.45 3app h SER 127 Cb 1.24 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.78 3app h SER 127 CO 0.59 0.03 0.35 0.77 -1.14 0.00 0.00 176.83 177.42 3app h SER 128 N 0.00 0.00 -0.33 3.07 4.64 -1.91 -0.35 113.55 118.67 3app h SER 128 Ca -0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3app h SER 128 Cb 0.09 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.18 3app h SER 128 CO 0.00 0.00 0.00 2.30 -0.87 0.00 0.00 176.83 178.26 3app n ILE 129 N -2.76 1.87 -1.94 0.95 -5.35 -1.01 -4.99 119.36 106.14 3app n ILE 129 Ca -0.02 -1.53 -0.40 0.00 -0.27 0.00 0.00 62.75 60.53 3app n ILE 129 Cb 0.39 0.01 -0.00 0.00 -1.74 0.00 0.00 39.64 38.30 3app n ILE 129 CO 0.00 0.00 0.00 0.21 -1.76 0.00 0.00 176.55 175.00 3app s ASN 130 N -1.50 6.27 0.00 7.28 3.84 -0.14 -4.54 114.94 126.14 3app s ASN 130 Ca 0.38 2.82 0.20 0.00 0.21 0.00 0.00 52.86 56.46 3app s ASN 130 Cb 0.28 -2.65 0.53 0.00 -0.55 0.00 0.00 41.25 38.86 3app s ASN 130 CO 0.13 -0.90 1.44 0.35 -2.79 0.00 0.00 177.10 175.33 3app n THR 131 N 0.21 0.51 -2.22 -5.21 -2.24 -1.26 -4.78 114.28 99.29 3app n THR 131 Ca 0.03 -0.62 -0.42 0.00 -2.27 0.00 0.00 64.05 60.77 3app n THR 131 Cb 0.42 0.55 -0.03 0.00 -2.10 0.00 0.00 70.33 69.17 3app n THR 131 CO 0.00 0.00 0.00 -0.69 -0.57 0.00 0.00 175.07 173.81 3app s VAL 132 N -1.49 3.34 0.15 2.28 1.01 -1.26 -4.32 120.40 120.11 3app s VAL 132 Ca 0.36 1.03 0.10 0.00 0.00 0.00 0.00 61.98 63.47 3app s VAL 132 Cb 0.20 -3.66 -0.04 0.00 0.00 0.00 0.00 36.38 32.88 3app s VAL 132 CO 0.27 0.12 -0.24 -1.10 0.00 0.00 0.00 175.10 174.15 3app s GLN 133 N 0.49 1.37 0.27 2.72 -0.21 0.14 -2.34 119.66 122.09 3app s GLN 133 Ca 0.60 -1.38 0.26 0.00 0.02 0.00 0.00 55.36 54.86 3app s GLN 133 Cb -0.36 -1.71 0.83 0.00 1.00 0.00 0.00 33.01 32.76 3app s GLN 133 CO 0.34 0.39 1.75 -1.00 -2.12 0.00 0.00 175.29 174.65 3app h PRO 134 N 3.63 0.00 -4.91 2.91 0.13 -1.85 -0.14 132.00 131.77 3app h PRO 134 Ca -0.48 0.00 -0.64 0.00 -0.87 0.00 0.00 66.00 64.02 3app h PRO 134 Cb 1.19 0.00 -0.35 0.00 0.13 0.00 0.00 31.00 31.97 3app h PRO 134 CO 0.43 0.00 -0.85 -0.65 -0.23 0.00 0.00 178.00 176.70 3app s GLN 135 N -3.20 2.65 0.72 0.86 -0.21 -1.26 -5.12 119.66 114.10 3app s GLN 135 Ca 0.08 -0.70 -0.15 0.00 0.02 0.00 0.00 55.36 54.61 3app s GLN 135 Cb 0.11 -2.27 0.03 0.00 1.00 0.00 0.00 33.01 31.87 3app s GLN 135 CO 0.55 -0.15 1.17 -1.54 -2.12 0.00 0.00 175.29 173.21 3app s SER 136 N 1.19 4.44 0.37 5.90 1.04 -0.99 -4.77 113.70 120.88 3app s SER 136 Ca 0.00 2.22 0.08 0.00 0.48 0.00 0.00 55.95 58.74 3app s SER 136 Cb -0.14 -2.57 -0.05 0.00 0.10 0.00 0.00 66.02 63.36 3app s SER 136 CO -0.08 -2.09 0.15 -1.10 0.98 0.00 0.00 173.24 171.10 3app s GLN 137 N -4.01 2.30 0.20 4.02 -1.52 -1.26 -5.00 119.66 114.38 3app s GLN 137 Ca 0.71 -1.66 -0.07 0.00 -1.95 0.00 0.00 55.36 52.39 3app s GLN 137 Cb -0.26 -2.10 -0.06 0.00 -0.22 0.00 0.00 33.01 30.37 3app s GLN 137 CO 0.45 0.03 0.48 0.95 -0.25 0.00 0.00 175.29 176.95 3app s THR 138 N -2.49 5.03 0.93 -0.19 -4.23 -1.26 -4.70 115.64 108.73 3app s THR 138 Ca 0.39 0.25 -0.12 0.00 -1.18 0.00 0.00 61.69 61.03 3app s THR 138 Cb -0.00 -3.63 0.15 0.00 1.34 0.00 0.00 72.50 70.35 3app s THR 138 CO 0.22 -0.05 1.09 0.42 -0.54 0.00 0.00 174.62 175.76 3app s THR 139 N -1.78 2.53 0.18 3.99 -4.23 -1.26 -4.63 115.64 110.44 3app s THR 139 Ca 0.44 0.17 -0.17 0.00 -1.18 0.00 0.00 61.69 60.96 3app s THR 139 Cb -0.11 -2.57 0.13 0.00 1.34 0.00 0.00 72.50 71.29 3app s THR 139 CO 0.23 -0.23 1.65 0.15 -0.54 0.00 0.00 174.62 175.89 3app h PHE 140 N -1.70 -0.31 -0.34 3.99 3.57 -1.94 0.13 116.94 120.34 3app h PHE 140 Ca -0.50 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.04 3app h PHE 140 Cb 1.29 0.21 -0.02 0.00 2.79 0.00 0.00 35.95 40.22 3app h PHE 140 CO 0.41 -0.22 0.22 0.35 -2.23 0.00 0.00 178.31 176.84 3app h PHE 141 N -0.03 0.43 -0.15 0.41 3.04 -1.91 -1.64 116.94 117.09 3app h PHE 141 Ca 0.22 0.01 -0.06 0.00 3.98 0.00 0.00 57.97 62.12 3app h PHE 141 Cb 0.37 -0.15 -0.01 0.00 2.56 0.00 0.00 35.95 38.72 3app h PHE 141 CO -0.42 0.27 -0.20 -0.44 -2.02 0.00 0.00 178.31 175.51 3app h ASP 142 N 0.46 0.24 -0.31 0.41 3.45 -1.66 0.79 116.42 119.80 3app h ASP 142 Ca 0.12 -0.06 -0.03 0.00 0.43 0.00 0.00 57.03 57.49 3app h ASP 142 Cb -0.05 -0.06 -0.01 0.00 -0.56 0.00 0.00 39.33 38.64 3app h ASP 142 CO -0.03 0.46 0.07 0.74 -1.57 0.00 0.00 179.24 178.91 3app h THR 143 N 0.23 1.22 0.00 0.35 2.02 -0.15 -3.30 112.91 113.29 3app h THR 143 Ca 0.04 -0.76 0.00 0.00 0.77 0.00 0.00 66.41 66.47 3app h THR 143 Cb 0.49 1.12 0.00 0.00 -1.74 0.00 0.00 68.15 68.02 3app h THR 143 CO 0.03 0.25 -0.95 1.33 0.37 0.00 0.00 175.52 176.55 3app n VAL 144 N -4.64 0.25 -0.34 3.16 0.24 -0.68 -4.64 118.33 111.69 3app n VAL 144 Ca -0.02 -0.29 0.01 0.00 -2.04 0.00 0.00 64.34 62.00 3app n VAL 144 Cb 0.20 0.06 0.07 0.00 -1.47 0.00 0.00 33.84 32.70 3app n VAL 144 CO 0.00 0.00 0.00 1.17 -2.14 0.00 0.00 176.83 175.86 3app n LYS 145 N -2.08 -0.17 0.30 7.34 4.81 0.26 -0.35 118.16 128.28 3app n LYS 145 Ca 0.02 1.38 0.18 0.00 -0.87 0.00 0.00 58.31 59.02 3app n LYS 145 Cb 0.45 -2.06 0.94 0.00 0.02 0.00 0.00 35.03 34.38 3app n LYS 145 CO 0.00 0.00 0.00 0.66 1.17 0.00 0.00 177.40 179.23 3app h SER 146 N 0.00 0.00 0.29 3.14 4.64 -1.82 -2.80 113.55 117.00 3app h SER 146 Ca 0.35 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.67 3app h SER 146 Cb 0.58 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.67 3app h SER 146 CO -0.90 0.03 -0.67 -1.54 -0.87 0.00 0.00 176.83 172.88 3app n SER 147 N -3.28 0.75 -4.80 4.97 3.41 0.53 -4.93 113.62 110.25 3app n SER 147 Ca -0.02 -0.58 -0.34 0.00 -0.26 0.00 0.00 58.87 57.67 3app n SER 147 Cb 0.17 0.52 -0.04 0.00 -0.26 0.00 0.00 64.21 64.61 3app n SER 147 CO 0.00 0.00 0.00 -0.76 -0.16 0.00 0.00 175.04 174.12 3app s LEU 148 N -2.96 3.84 0.25 1.04 1.43 -1.06 -0.70 118.68 120.52 3app s LEU 148 Ca 0.11 1.85 -0.03 0.00 -1.03 0.00 0.00 54.13 55.02 3app s LEU 148 Cb 0.17 -4.55 0.41 0.00 0.03 0.00 0.00 46.19 42.25 3app s LEU 148 CO 0.75 -0.70 1.83 0.00 0.23 0.00 0.00 176.35 178.46 3app h ALA 149 N 1.55 1.25 -3.86 4.21 0.00 -0.98 -3.41 119.26 118.02 3app h ALA 149 Ca -0.49 0.02 -0.32 0.00 0.00 0.00 0.00 54.91 54.11 3app h ALA 149 Cb 1.21 -0.18 -0.29 0.00 0.00 0.00 0.00 17.79 18.53 3app h ALA 149 CO 0.59 0.19 -0.75 -0.65 0.00 0.00 0.00 179.25 178.63 3app s GLN 150 N -6.03 0.40 -1.50 0.00 -0.21 -1.13 -5.06 119.66 106.14 3app s GLN 150 Ca -0.12 -0.16 -0.10 0.00 0.02 0.00 0.00 55.36 55.00 3app s GLN 150 Cb 0.20 -0.40 0.01 0.00 1.00 0.00 0.00 33.01 33.81 3app s GLN 150 CO 0.79 0.09 2.57 -0.35 -2.12 0.00 0.00 175.29 176.26 3app n PRO 151 N 3.05 3.62 -3.98 2.91 -0.04 -1.26 -4.12 135.00 135.18 3app n PRO 151 Ca -0.14 -2.65 -0.10 0.00 -0.04 0.00 0.00 63.50 60.58 3app n PRO 151 Cb 0.58 -2.92 -0.07 0.00 -0.04 0.00 0.00 33.50 31.05 3app n PRO 151 CO 0.00 0.00 0.00 -0.48 -0.04 0.00 0.00 175.50 174.98 3app s LEU 152 N 0.30 0.92 0.05 1.53 0.05 -1.26 -1.25 118.68 119.02 3app s LEU 152 Ca 0.58 -0.90 -0.00 0.00 0.05 0.00 0.00 54.13 53.85 3app s LEU 152 Cb 0.16 1.19 -0.03 0.00 -2.05 0.00 0.00 46.19 45.46 3app s LEU 152 CO -0.07 -0.91 -0.04 0.72 -0.55 0.00 0.00 176.35 175.51 3app s PHE 153 N -3.98 0.49 0.03 3.48 -0.71 -0.54 -0.44 117.98 116.31 3app s PHE 153 Ca 0.19 -0.87 0.01 0.00 -1.04 0.00 0.00 56.93 55.21 3app s PHE 153 Cb 0.03 -0.35 -0.02 0.00 -1.21 0.00 0.00 43.02 41.47 3app s PHE 153 CO 0.01 -0.29 -0.05 0.00 -1.34 0.00 0.00 175.22 173.56 3app s ALA 154 N -3.07 0.33 -0.01 1.99 0.00 0.26 0.06 121.76 121.34 3app s ALA 154 Ca 0.00 -0.71 0.04 0.00 0.00 0.00 0.00 51.96 51.29 3app s ALA 154 Cb 0.02 0.12 -0.01 0.00 0.00 0.00 0.00 23.12 23.24 3app s ALA 154 CO -0.06 -0.12 -0.12 0.54 0.00 0.00 0.00 175.76 176.00 3app s VAL 155 N -1.60 0.91 -0.27 0.00 0.11 0.37 -0.79 120.40 119.13 3app s VAL 155 Ca -0.12 -0.53 -0.00 0.00 -2.93 0.00 0.00 61.98 58.40 3app s VAL 155 Cb -0.09 -0.77 0.08 0.00 -1.53 0.00 0.00 36.38 34.08 3app s VAL 155 CO -0.01 0.24 0.05 0.00 -3.33 0.00 0.00 175.10 172.05 3app s ALA 156 N -0.31 1.64 0.07 1.54 0.00 -0.02 -1.96 121.76 122.72 3app s ALA 156 Ca 0.04 -1.49 -0.14 0.00 0.00 0.00 0.00 51.96 50.36 3app s ALA 156 Cb -0.05 -1.53 -0.06 0.00 0.00 0.00 0.00 23.12 21.48 3app s ALA 156 CO -0.00 -1.47 0.47 -0.51 0.00 0.00 0.00 175.76 174.24 3app s LEU 157 N 1.55 4.42 0.30 0.00 1.43 -1.26 -1.66 118.68 123.45 3app s LEU 157 Ca 0.05 1.00 0.06 0.00 -1.03 0.00 0.00 54.13 54.21 3app s LEU 157 Cb -0.18 -2.90 -0.06 0.00 0.03 0.00 0.00 46.19 43.08 3app s LEU 157 CO -0.16 0.23 -0.03 -0.54 0.23 0.00 0.00 176.35 176.07 3app s LYS 158 N -1.50 1.59 -0.42 1.70 -0.14 -1.26 -4.11 119.74 115.61 3app s LYS 158 Ca 0.30 -1.83 -0.24 0.00 -1.36 0.00 0.00 55.97 52.84 3app s LYS 158 Cb -0.16 -1.13 0.02 0.00 -1.68 0.00 0.00 37.83 34.88 3app s LYS 158 CO 0.17 -0.01 0.86 -1.58 -0.76 0.00 0.00 175.35 174.02 3app s HIS 159 N -3.05 3.01 -1.50 3.18 5.65 -1.26 -4.26 115.29 117.06 3app s HIS 159 Ca 0.31 0.42 -0.00 0.00 0.25 0.00 0.00 55.06 56.04 3app s HIS 159 Cb 0.05 -3.71 0.00 0.00 -1.18 0.00 0.00 32.58 27.74 3app s HIS 159 CO 0.13 -0.95 0.15 1.04 -0.65 0.00 0.00 174.74 174.46 3app n GLN 160 N 6.82 -1.72 -3.50 2.88 1.13 -1.26 -4.95 117.38 116.78 3app n GLN 160 Ca 0.05 0.20 -0.16 0.00 -1.94 0.00 0.00 57.00 55.14 3app n GLN 160 Cb 0.48 -3.89 -0.05 0.00 0.11 0.00 0.00 30.24 26.90 3app n GLN 160 CO 0.00 0.00 0.00 -0.65 -1.44 0.00 0.00 177.06 174.97 3app s GLN 161 N -7.10 1.09 0.55 -1.09 -0.21 -1.26 -5.06 119.66 106.57 3app s GLN 161 Ca 0.01 0.04 -0.21 0.00 0.02 0.00 0.00 55.36 55.22 3app s GLN 161 Cb -0.00 0.51 -0.05 0.00 1.00 0.00 0.00 33.01 34.47 3app s GLN 161 CO 0.96 -0.39 1.32 -2.14 -2.12 0.00 0.00 175.29 172.93 3app s PRO 162 N -1.92 3.15 0.00 2.91 0.02 -1.26 -4.32 135.00 133.58 3app s PRO 162 Ca -0.07 2.15 0.00 0.00 0.02 0.00 0.00 61.00 63.10 3app s PRO 162 Cb -0.00 -2.22 0.00 0.00 0.02 0.00 0.00 34.50 32.29 3app s PRO 162 CO 0.03 -1.15 0.00 0.41 -0.33 0.00 0.00 177.00 175.96 3app n GLY 163 N 0.70 5.03 3.09 0.52 0.00 0.37 -4.80 105.19 110.10 3app n GLY 163 Ca 0.11 -1.83 -0.07 0.00 0.00 0.00 0.00 46.02 44.22 3app n GLY 163 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 3app s VAL 164 N -0.95 0.21 -0.23 1.61 -7.23 -0.67 -0.72 120.40 112.43 3app s VAL 164 Ca 0.00 -1.73 0.02 0.00 -1.81 0.00 0.00 61.98 58.46 3app s VAL 164 Cb 0.00 -1.44 0.04 0.00 0.56 0.00 0.00 36.38 35.55 3app s VAL 164 CO 0.00 -0.95 -0.15 -0.31 -0.31 0.00 0.00 175.10 173.38 3app s TYR 165 N -3.77 3.05 -0.24 2.82 1.51 0.29 -0.84 117.35 120.18 3app s TYR 165 Ca 0.06 -2.04 -0.12 0.00 -1.01 0.00 0.00 57.07 53.96 3app s TYR 165 Cb 0.07 -1.92 -0.05 0.00 -0.11 0.00 0.00 41.96 39.95 3app s TYR 165 CO -0.09 -0.85 0.24 -0.51 -1.11 0.00 0.00 175.55 173.22 3app s ASP 166 N 1.18 6.17 -0.26 2.29 -0.00 0.03 -0.34 116.67 125.75 3app s ASP 166 Ca -0.03 0.18 -0.09 0.00 -0.00 0.00 0.00 52.55 52.61 3app s ASP 166 Cb -0.17 -2.14 -0.04 0.00 -0.00 0.00 0.00 42.92 40.57 3app s ASP 166 CO -0.08 -0.01 0.12 -0.36 -0.00 0.00 0.00 175.17 174.83 3app s PHE 167 N 1.36 3.14 0.00 4.23 0.40 0.10 -0.57 117.98 126.64 3app s PHE 167 Ca 0.10 -0.20 0.00 0.00 -0.60 0.00 0.00 56.93 56.24 3app s PHE 167 Cb -0.14 -2.29 0.00 0.00 0.51 0.00 0.00 43.02 41.10 3app s PHE 167 CO 0.07 -0.27 0.00 0.41 0.70 0.00 0.00 175.22 176.13 3app n GLY 168 N 4.93 0.52 3.55 4.36 0.00 0.42 -1.53 105.19 117.44 3app n GLY 168 Ca -0.15 -0.01 -0.10 0.00 0.00 0.00 0.00 46.02 45.76 3app n GLY 168 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3app s PHE 169 N -2.00 -0.41 -0.13 1.61 -0.71 -1.26 -2.82 117.98 112.26 3app s PHE 169 Ca 0.00 0.15 -0.02 0.00 -1.04 0.00 0.00 56.93 56.02 3app s PHE 169 Cb 0.00 0.59 -0.02 0.00 -1.21 0.00 0.00 43.02 42.38 3app s PHE 169 CO 0.00 -0.88 -0.07 0.42 -1.34 0.00 0.00 175.22 173.34 3app s ILE 170 N -3.65 3.59 -0.47 -4.49 1.01 -1.26 -4.65 121.20 111.28 3app s ILE 170 Ca 0.05 -0.48 -0.12 0.00 0.00 0.00 0.00 60.65 60.10 3app s ILE 170 Cb -0.02 -2.53 0.10 0.00 0.01 0.00 0.00 42.46 40.01 3app s ILE 170 CO -0.07 0.52 0.36 -0.62 0.00 0.00 0.00 174.94 175.13 3app s ASP 171 N 0.17 5.89 0.36 3.58 3.68 -1.26 -4.93 116.67 124.16 3app s ASP 171 Ca -0.04 -1.61 0.27 0.00 2.13 0.00 0.00 52.55 53.30 3app s ASP 171 Cb -0.14 -2.09 1.17 0.00 -1.45 0.00 0.00 42.92 40.41 3app s ASP 171 CO 0.04 -0.67 1.81 0.28 0.13 0.00 0.00 175.17 176.76 3app h SER 172 N 8.60 0.00 0.62 -0.34 0.02 -1.98 -1.96 113.55 118.52 3app h SER 172 Ca -0.25 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.70 3app h SER 172 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 3app h SER 172 CO 0.87 0.00 0.00 -1.54 -1.14 0.00 0.00 176.83 175.02 3app n SER 173 N -2.49 0.00 -0.18 3.07 3.41 -1.26 -3.31 113.62 112.86 3app n SER 173 Ca 0.01 0.22 0.13 0.00 -0.26 0.00 0.00 58.87 58.98 3app n SER 173 Cb 0.22 -0.39 0.43 0.00 -0.26 0.00 0.00 64.21 64.20 3app n SER 173 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 3app n LYS 174 N -1.39 0.68 -4.18 4.33 4.76 -0.74 -4.75 118.16 116.88 3app n LYS 174 Ca 0.08 -0.35 -0.12 0.00 -2.87 0.00 0.00 58.31 55.05 3app n LYS 174 Cb 0.23 -1.49 -0.09 0.00 -1.84 0.00 0.00 35.03 31.84 3app n LYS 174 CO 0.00 0.00 0.00 1.52 -1.37 0.00 0.00 177.40 177.55 3app s TYR 175 N -2.57 1.09 0.04 2.13 1.13 -1.21 -1.48 117.35 116.49 3app s TYR 175 Ca 0.24 -1.31 0.06 0.00 -1.41 0.00 0.00 57.07 54.65 3app s TYR 175 Cb 0.19 -0.46 -0.03 0.00 -1.10 0.00 0.00 41.96 40.56 3app s TYR 175 CO 0.53 -0.71 -0.12 0.95 -2.51 0.00 0.00 175.55 173.69 3app s THR 176 N -4.07 3.24 0.00 -3.49 -4.23 -0.54 -4.64 115.64 101.91 3app s THR 176 Ca 0.37 -1.06 0.00 0.00 -1.18 0.00 0.00 61.69 59.82 3app s THR 176 Cb 0.06 -2.42 0.00 0.00 1.34 0.00 0.00 72.50 71.47 3app s THR 176 CO 0.13 0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.12 3app n GLY 177 N 1.34 0.40 3.65 3.99 0.00 -1.26 -4.31 105.19 109.00 3app n GLY 177 Ca -0.15 -0.89 -0.25 0.00 0.00 0.00 0.00 46.02 44.73 3app n GLY 177 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 3app s SER 178 N -4.00 4.62 0.39 1.61 0.01 -1.26 -5.09 113.70 109.97 3app s SER 178 Ca 0.00 -0.54 -0.24 0.00 1.31 0.00 0.00 55.95 56.48 3app s SER 178 Cb 0.00 -0.91 -0.09 0.00 0.21 0.00 0.00 66.02 65.23 3app s SER 178 CO 0.00 0.04 1.03 -0.76 0.41 0.00 0.00 173.24 173.96 3app s LEU 179 N -3.32 4.16 -0.20 2.44 1.43 -1.26 -4.75 118.68 117.18 3app s LEU 179 Ca 0.29 1.98 -0.01 0.00 -1.03 0.00 0.00 54.13 55.36 3app s LEU 179 Cb -0.08 -4.18 0.01 0.00 0.03 0.00 0.00 46.19 41.97 3app s LEU 179 CO 0.19 -0.41 -0.13 -0.89 0.23 0.00 0.00 176.35 175.34 3app s THR 180 N -1.68 2.65 -0.01 5.49 2.01 -0.75 -4.89 115.64 118.46 3app s THR 180 Ca 0.57 -0.74 -0.05 0.00 0.31 0.00 0.00 61.69 61.78 3app s THR 180 Cb -0.21 -2.16 -0.04 0.00 0.01 0.00 0.00 72.50 70.10 3app s THR 180 CO 0.26 0.49 0.23 -0.31 -0.69 0.00 0.00 174.62 174.59 3app s TYR 181 N 1.36 3.57 0.05 4.92 1.51 -1.26 -0.66 117.35 126.84 3app s TYR 181 Ca 0.05 0.48 0.03 0.00 -1.01 0.00 0.00 57.07 56.63 3app s TYR 181 Cb -0.14 -1.92 -0.03 0.00 -0.11 0.00 0.00 41.96 39.77 3app s TYR 181 CO -0.08 0.63 -0.11 -0.08 -1.11 0.00 0.00 175.55 174.80 3app s THR 182 N -1.29 0.79 0.40 -0.71 -1.32 -0.21 -4.89 115.64 108.41 3app s THR 182 Ca 0.27 -1.17 -0.24 0.00 -1.21 0.00 0.00 61.69 59.34 3app s THR 182 Cb -0.13 -0.81 -0.09 0.00 -1.51 0.00 0.00 72.50 69.97 3app s THR 182 CO 0.16 -0.31 1.04 -0.83 -2.21 0.00 0.00 174.62 172.48 3app s GLY 183 N -1.63 2.71 -0.01 6.08 0.00 -1.26 -1.38 107.32 111.82 3app s GLY 183 Ca -0.06 0.68 -0.00 0.00 0.00 0.00 0.00 44.72 45.33 3app s GLY 183 CO 0.01 1.09 0.06 0.14 0.00 0.00 0.00 173.10 174.41 3app s VAL 184 N -1.70 4.60 -0.52 1.40 1.01 -0.62 -4.55 120.40 120.02 3app s VAL 184 Ca 0.58 -0.43 -0.10 0.00 0.00 0.00 0.00 61.98 62.03 3app s VAL 184 Cb -0.21 -3.08 0.13 0.00 0.00 0.00 0.00 36.38 33.22 3app s VAL 184 CO 0.26 0.37 0.41 -0.62 0.00 0.00 0.00 175.10 175.52 3app s ASP 185 N -1.65 5.82 -0.10 3.32 3.68 -0.08 -4.46 116.67 123.20 3app s ASP 185 Ca 0.22 -2.05 0.12 0.00 2.13 0.00 0.00 52.55 52.97 3app s ASP 185 Cb -0.12 -2.04 0.52 0.00 -1.45 0.00 0.00 42.92 39.83 3app s ASP 185 CO 0.12 -0.68 1.36 -0.46 0.13 0.00 0.00 175.17 175.64 3app n ASN 186 N 4.75 3.63 0.27 -0.34 6.94 -1.26 -3.79 115.26 125.47 3app n ASN 186 Ca -0.05 -2.39 0.11 0.00 -0.02 0.00 0.00 54.58 52.23 3app n ASN 186 Cb 0.41 -0.52 0.77 0.00 -2.36 0.00 0.00 39.78 38.08 3app n ASN 186 CO 0.00 0.00 0.00 0.77 -1.03 0.00 0.00 177.26 177.00 3app h SER 187 N 2.81 0.00 -0.38 0.53 4.64 -1.93 -0.70 113.55 118.52 3app h SER 187 Ca 0.00 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.32 3app h SER 187 Cb 1.19 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.28 3app h SER 187 CO 0.21 0.00 0.00 0.00 -0.87 0.00 0.00 176.83 176.17 3app n GLN 188 N -4.22 2.36 -0.67 4.77 1.13 -1.26 -4.97 117.38 114.52 3app n GLN 188 Ca -0.03 -2.16 0.00 0.00 -1.94 0.00 0.00 57.00 52.87 3app n GLN 188 Cb 0.09 -1.44 0.00 0.00 0.11 0.00 0.00 30.24 29.01 3app n GLN 188 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 3app n GLY 189 N 1.22 0.71 3.75 1.08 0.00 -0.27 -4.92 105.19 106.76 3app n GLY 189 Ca 0.17 0.00 -0.22 0.00 0.00 0.00 0.00 46.02 45.97 3app n GLY 189 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 3app s PHE 190 N -2.35 2.86 -1.34 1.61 0.08 -1.26 -1.41 117.98 116.17 3app s PHE 190 Ca 0.00 -0.23 -0.14 0.00 0.12 0.00 0.00 56.93 56.68 3app s PHE 190 Cb 0.00 -1.44 0.10 0.00 -0.57 0.00 0.00 43.02 41.11 3app s PHE 190 CO 0.00 0.47 1.89 0.91 -0.10 0.00 0.00 175.22 178.39 3app n TRP 191 N -1.11 3.94 -3.32 0.36 7.02 -1.26 -4.12 117.44 118.95 3app n TRP 191 Ca -0.06 -2.96 -0.38 0.00 -1.02 0.00 0.00 57.50 53.08 3app n TRP 191 Cb 0.59 -2.38 -0.06 0.00 -2.42 0.00 0.00 31.31 27.04 3app n TRP 191 CO 0.00 0.00 0.00 0.45 -2.02 0.00 0.00 177.69 176.12 3app s SER 192 N 2.87 6.66 0.18 -0.99 0.15 -1.25 -1.49 113.70 119.83 3app s SER 192 Ca 0.46 0.79 -0.00 0.00 0.70 0.00 0.00 55.95 57.90 3app s SER 192 Cb 0.08 -2.28 -0.04 0.00 -1.71 0.00 0.00 66.02 62.06 3app s SER 192 CO -0.01 -0.01 0.08 0.72 1.20 0.00 0.00 173.24 175.22 3app s PHE 193 N 0.70 1.10 -0.02 3.44 -0.71 -0.36 -0.91 117.98 121.22 3app s PHE 193 Ca 0.25 -1.24 0.02 0.00 -1.04 0.00 0.00 56.93 54.92 3app s PHE 193 Cb -0.15 -0.59 -0.03 0.00 -1.21 0.00 0.00 43.02 41.03 3app s PHE 193 CO 0.10 -0.49 -0.05 -0.80 -1.34 0.00 0.00 175.22 172.64 3app s ASN 194 N -3.14 4.74 0.07 1.98 0.02 -1.26 -1.78 114.94 115.57 3app s ASN 194 Ca 0.31 -0.08 0.06 0.00 -1.02 0.00 0.00 52.86 52.12 3app s ASN 194 Cb 0.07 -1.16 -0.04 0.00 0.02 0.00 0.00 41.25 40.15 3app s ASN 194 CO 0.07 0.30 -0.09 0.68 0.02 0.00 0.00 177.10 178.08 3app s VAL 195 N -0.97 3.44 0.04 1.60 -7.23 -0.13 -4.67 120.40 112.49 3app s VAL 195 Ca 0.16 -1.09 0.08 0.00 -1.81 0.00 0.00 61.98 59.33 3app s VAL 195 Cb -0.11 -2.56 -0.23 0.00 0.56 0.00 0.00 36.38 34.04 3app s VAL 195 CO 0.07 0.22 1.00 0.44 -0.31 0.00 0.00 175.10 176.51 3app h ASP 196 N 3.98 0.05 -5.03 4.85 3.45 -0.98 -2.54 116.42 120.19 3app h ASP 196 Ca -0.48 -0.07 0.11 0.00 0.43 0.00 0.00 57.03 57.01 3app h ASP 196 Cb 1.17 -0.02 -0.10 0.00 -0.56 0.00 0.00 39.33 39.82 3app h ASP 196 CO 0.53 1.06 0.39 -0.55 -1.57 0.00 0.00 179.24 179.09 3app s SER 197 N -6.51 -0.31 0.03 6.45 0.15 -1.25 -2.43 113.70 109.84 3app s SER 197 Ca -0.02 -0.27 -0.01 0.00 0.70 0.00 0.00 55.95 56.34 3app s SER 197 Cb 0.09 0.53 -0.02 0.00 -1.71 0.00 0.00 66.02 64.90 3app s SER 197 CO 0.83 -0.93 -0.01 -0.72 1.20 0.00 0.00 173.24 173.61 3app s TYR 198 N -3.45 0.32 -0.16 3.44 1.13 -0.98 -1.28 117.35 116.37 3app s TYR 198 Ca 0.08 -0.66 -0.00 0.00 -1.41 0.00 0.00 57.07 55.08 3app s TYR 198 Cb -0.02 -0.23 0.04 0.00 -1.10 0.00 0.00 41.96 40.64 3app s TYR 198 CO -0.02 -0.27 -0.08 0.99 -2.51 0.00 0.00 175.55 173.66 3app s THR 199 N -2.26 1.29 -0.58 -3.49 2.01 -0.06 -1.10 115.64 111.45 3app s THR 199 Ca -0.08 -0.65 -0.07 0.00 0.31 0.00 0.00 61.69 61.19 3app s THR 199 Cb -0.04 -1.37 0.15 0.00 0.01 0.00 0.00 72.50 71.25 3app s THR 199 CO -0.04 0.24 0.44 0.00 -0.69 0.00 0.00 174.62 174.57 3app s ALA 200 N 1.57 3.55 0.00 7.40 0.00 0.16 -1.14 121.76 133.30 3app s ALA 200 Ca 0.02 -2.92 0.00 0.00 0.00 0.00 0.00 51.96 49.06 3app s ALA 200 Cb -0.15 -2.85 0.00 0.00 0.00 0.00 0.00 23.12 20.12 3app s ALA 200 CO -0.08 -2.03 0.00 0.41 0.00 0.00 0.00 175.76 174.06 3app n GLY 201 N 4.24 3.73 0.32 0.00 0.00 -0.11 -1.59 105.19 111.78 3app n GLY 201 Ca 0.02 0.02 0.14 0.00 0.00 0.00 0.00 46.02 46.20 3app n GLY 201 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 3app n SER 202 N 9.14 1.01 -4.20 1.61 7.64 -1.26 -4.89 113.62 122.67 3app n SER 202 Ca 0.00 -1.35 -0.28 0.00 1.01 0.00 0.00 58.87 58.25 3app n SER 202 Cb 0.00 -0.00 -0.16 0.00 -1.01 0.00 0.00 64.21 63.04 3app n SER 202 CO 0.00 0.00 0.00 -1.10 -3.01 0.00 0.00 175.04 170.93 3app s GLN 203 N -1.99 1.99 0.28 1.43 -0.21 -0.62 -5.14 119.66 115.39 3app s GLN 203 Ca 0.41 -0.74 0.11 0.00 0.02 0.00 0.00 55.36 55.16 3app s GLN 203 Cb 0.21 -1.76 -0.05 0.00 1.00 0.00 0.00 33.01 32.41 3app s GLN 203 CO 0.34 0.35 -0.13 -1.12 -2.12 0.00 0.00 175.29 172.61 3app s SER 204 N -0.18 3.94 0.38 5.90 0.01 -1.26 0.40 113.70 122.89 3app s SER 204 Ca -0.00 -0.89 -0.13 0.00 1.31 0.00 0.00 55.95 56.24 3app s SER 204 Cb -0.11 -0.50 0.05 0.00 0.21 0.00 0.00 66.02 65.67 3app s SER 204 CO 0.02 0.02 0.74 -0.83 0.41 0.00 0.00 173.24 173.60 3app s GLY 205 N -3.57 0.61 0.78 3.44 0.00 -0.26 -4.98 107.32 103.33 3app s GLY 205 Ca 0.31 -0.92 -0.12 0.00 0.00 0.00 0.00 44.72 43.98 3app s GLY 205 CO 0.17 -0.45 1.14 0.99 0.00 0.00 0.00 173.10 174.95 3app s ASP 206 N -3.11 4.11 1.06 1.64 1.01 -1.26 -2.33 116.67 117.79 3app s ASP 206 Ca 0.18 2.09 -0.18 0.00 0.71 0.00 0.00 52.55 55.36 3app s ASP 206 Cb -0.04 -2.56 0.24 0.00 1.01 0.00 0.00 42.92 41.57 3app s ASP 206 CO 0.13 -2.31 1.28 -0.83 0.21 0.00 0.00 175.17 173.66 3app s GLY 207 N -2.70 1.75 0.13 0.21 0.00 -1.02 -4.42 107.32 101.28 3app s GLY 207 Ca 0.67 -1.22 -0.09 0.00 0.00 0.00 0.00 44.72 44.08 3app s GLY 207 CO 0.51 -0.38 0.44 1.97 0.00 0.00 0.00 173.10 175.65 3app n PHE 208 N -4.13 -1.27 -4.36 1.90 -1.74 -0.96 -4.94 117.46 101.96 3app n PHE 208 Ca 0.16 -0.74 -0.25 0.00 -0.56 0.00 0.00 57.45 56.06 3app n PHE 208 Cb 0.59 0.36 -0.10 0.00 1.52 0.00 0.00 39.48 41.86 3app n PHE 208 CO 0.00 0.00 0.00 -1.54 -0.56 0.00 0.00 176.76 174.66 3app s SER 209 N -2.09 3.98 0.29 5.98 1.04 -1.26 -0.95 113.70 120.69 3app s SER 209 Ca 0.09 -0.77 -0.20 0.00 0.48 0.00 0.00 55.95 55.55 3app s SER 209 Cb -0.02 -0.55 0.03 0.00 0.10 0.00 0.00 66.02 65.59 3app s SER 209 CO 0.04 0.07 0.75 -0.83 0.98 0.00 0.00 173.24 174.25 3app s GLY 210 N -3.16 -0.02 0.05 7.32 0.00 -0.73 -1.09 107.32 109.70 3app s GLY 210 Ca 0.27 -0.35 0.06 0.00 0.00 0.00 0.00 44.72 44.69 3app s GLY 210 CO 0.15 -0.09 -0.13 -0.26 0.00 0.00 0.00 173.10 172.78 3app s ILE 211 N -3.57 3.18 -0.39 0.90 -4.36 -0.13 -1.22 121.20 115.60 3app s ILE 211 Ca 0.12 -1.11 -0.24 0.00 -0.26 0.00 0.00 60.65 59.16 3app s ILE 211 Cb -0.05 -2.40 0.02 0.00 1.25 0.00 0.00 42.46 41.27 3app s ILE 211 CO 0.07 0.28 0.83 0.00 0.24 0.00 0.00 174.94 176.36 3app s ALA 212 N -1.03 3.37 -0.31 2.27 0.00 -0.56 -0.26 121.76 125.24 3app s ALA 212 Ca 0.17 -0.70 -0.01 0.00 0.00 0.00 0.00 51.96 51.43 3app s ALA 212 Cb -0.11 -3.46 0.10 0.00 0.00 0.00 0.00 23.12 19.66 3app s ALA 212 CO 0.08 -1.67 0.10 0.34 0.00 0.00 0.00 175.76 174.62 3app s ASP 213 N 1.96 4.00 0.49 0.00 2.15 -0.77 -4.55 116.67 119.95 3app s ASP 213 Ca 0.33 -1.63 0.33 0.00 0.43 0.00 0.00 52.55 52.01 3app s ASP 213 Cb -0.12 -0.83 1.53 0.00 -0.30 0.00 0.00 42.92 43.19 3app s ASP 213 CO 0.20 -0.42 1.99 0.71 -0.17 0.00 0.00 175.17 177.48 3app h THR 214 N 6.47 0.00 -0.00 1.71 1.35 -1.84 -2.62 112.91 117.98 3app h THR 214 Ca -0.14 -0.28 0.00 0.00 -0.55 0.00 0.00 66.41 65.45 3app h THR 214 Cb 1.01 1.16 0.00 0.00 -1.73 0.00 0.00 68.15 68.60 3app h THR 214 CO 0.47 0.00 -0.12 0.61 -0.25 0.00 0.00 175.52 176.23 3app n GLY 215 N -0.38 -1.24 3.59 5.82 0.00 -1.26 -4.72 105.19 107.00 3app n GLY 215 Ca -0.00 -0.20 -0.34 0.00 0.00 0.00 0.00 46.02 45.47 3app n GLY 215 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 3app s THR 216 N -2.75 4.50 0.11 2.61 2.01 -0.99 -5.02 115.64 116.12 3app s THR 216 Ca 0.21 -0.14 -0.15 0.00 0.31 0.00 0.00 61.69 61.92 3app s THR 216 Cb 0.19 -3.01 -0.04 0.00 0.01 0.00 0.00 72.50 69.65 3app s THR 216 CO 0.53 0.47 1.54 0.74 -0.69 0.00 0.00 174.62 177.21 3app h THR 217 N 4.97 1.27 -0.65 -0.82 2.02 -1.86 0.68 112.91 118.51 3app h THR 217 Ca -0.35 -1.04 -0.52 0.00 0.77 0.00 0.00 66.41 65.27 3app h THR 217 Cb 1.17 1.22 0.01 0.00 -1.74 0.00 0.00 68.15 68.82 3app h THR 217 CO 0.68 0.35 -0.12 -0.76 0.37 0.00 0.00 175.52 176.03 3app s LEU 218 N -9.38 2.95 -0.41 2.58 1.43 -1.26 -2.31 118.68 112.28 3app s LEU 218 Ca -0.13 -0.98 -0.15 0.00 -1.03 0.00 0.00 54.13 51.84 3app s LEU 218 Cb 0.09 -1.42 0.02 0.00 0.03 0.00 0.00 46.19 44.91 3app s LEU 218 CO 0.79 -1.37 0.31 -0.22 0.23 0.00 0.00 176.35 176.09 3app s LEU 219 N -4.63 5.05 -0.31 1.79 2.96 0.66 -2.50 118.68 121.72 3app s LEU 219 Ca 0.57 -0.85 -0.09 0.00 -0.22 0.00 0.00 54.13 53.54 3app s LEU 219 Cb -0.05 -2.18 -0.00 0.00 0.50 0.00 0.00 46.19 44.47 3app s LEU 219 CO 0.36 -0.45 0.13 -0.76 -1.32 0.00 0.00 176.35 174.31 3app s LEU 220 N 1.72 4.01 0.40 -0.68 1.43 -0.49 -0.72 118.68 124.36 3app s LEU 220 Ca 0.06 -0.59 0.06 0.00 -1.03 0.00 0.00 54.13 52.63 3app s LEU 220 Cb -0.19 -1.96 -0.07 0.00 0.03 0.00 0.00 46.19 44.00 3app s LEU 220 CO 0.10 -0.19 0.02 -0.76 0.23 0.00 0.00 176.35 175.75 3app s LEU 221 N 1.57 2.70 0.53 1.79 1.43 -0.31 -0.24 118.68 126.15 3app s LEU 221 Ca 0.04 -1.39 -0.23 0.00 -1.03 0.00 0.00 54.13 51.52 3app s LEU 221 Cb -0.17 -0.79 -0.06 0.00 0.03 0.00 0.00 46.19 45.21 3app s LEU 221 CO 0.05 -0.51 1.39 -1.81 0.23 0.00 0.00 176.35 175.70 3app s ASP 222 N -3.68 5.36 0.57 2.29 1.01 -1.26 -1.49 116.67 119.47 3app s ASP 222 Ca 0.33 2.84 0.26 0.00 0.71 0.00 0.00 52.55 56.69 3app s ASP 222 Cb 0.09 -2.64 1.68 0.00 1.01 0.00 0.00 42.92 43.06 3app s ASP 222 CO 0.16 -1.52 2.23 0.44 0.21 0.00 0.00 175.17 176.69 3app h ASP 223 N 1.64 0.00 -0.35 0.27 5.19 -1.97 -0.92 116.42 120.27 3app h ASP 223 Ca -0.51 0.00 -0.12 0.00 -0.62 0.00 0.00 57.03 55.78 3app h ASP 223 Cb 1.29 0.00 -0.01 0.00 0.18 0.00 0.00 39.33 40.79 3app h ASP 223 CO 0.58 0.00 -0.24 0.77 -3.12 0.00 0.00 179.24 177.23 3app h SER 224 N 0.00 0.87 0.04 6.45 4.64 -2.00 0.37 113.55 123.92 3app h SER 224 Ca 0.00 -0.33 -0.00 0.00 -0.47 0.00 0.00 61.79 60.99 3app h SER 224 Cb 0.02 -0.24 0.00 0.00 -0.31 0.00 0.00 62.40 61.87 3app h SER 224 CO -0.00 1.07 -0.02 0.58 -0.87 0.00 0.00 176.83 177.59 3app h VAL 225 N 0.74 1.19 -0.44 0.95 2.07 -1.55 -2.02 116.25 117.18 3app h VAL 225 Ca 0.10 -0.73 0.08 0.00 0.82 0.00 0.00 66.70 66.96 3app h VAL 225 Cb 0.78 1.67 -0.07 0.00 -1.52 0.00 0.00 31.29 32.15 3app h VAL 225 CO 0.06 0.19 0.03 0.58 0.02 0.00 0.00 177.57 178.45 3app h VAL 226 N -0.38 0.70 -0.11 2.57 2.07 -1.12 -0.88 116.25 119.11 3app h VAL 226 Ca -0.01 -0.05 0.02 0.00 0.82 0.00 0.00 66.70 67.49 3app h VAL 226 Cb 0.35 0.54 -0.02 0.00 -1.52 0.00 0.00 31.29 30.63 3app h VAL 226 CO 0.01 0.03 -0.04 0.28 0.02 0.00 0.00 177.57 177.87 3app h SER 227 N 0.15 -0.14 -0.65 0.57 0.02 -0.85 -0.52 113.55 112.12 3app h SER 227 Ca 0.22 0.04 0.10 0.00 -0.84 0.00 0.00 61.79 61.31 3app h SER 227 Cb 0.30 0.08 -0.07 0.00 0.14 0.00 0.00 62.40 62.85 3app h SER 227 CO -0.33 -0.06 0.27 -0.61 -1.14 0.00 0.00 176.83 174.96 3app h GLN 228 N -0.02 0.44 0.94 3.45 4.15 -1.04 0.48 115.11 123.51 3app h GLN 228 Ca 0.06 -0.03 -0.05 0.00 0.77 0.00 0.00 58.65 59.40 3app h GLN 228 Cb 0.11 -0.10 0.01 0.00 0.21 0.00 0.00 27.48 27.71 3app h GLN 228 CO -0.13 0.29 -0.45 -0.92 -1.93 0.00 0.00 178.83 175.69 3app h TYR 229 N 0.46 -1.17 0.00 3.99 3.20 -0.83 -3.11 116.97 119.50 3app h TYR 229 Ca 0.33 -0.03 0.00 0.00 3.14 0.00 0.00 58.73 62.17 3app h TYR 229 Cb 0.41 0.39 0.00 0.00 1.54 0.00 0.00 36.73 39.07 3app h TYR 229 CO -0.15 -0.73 0.00 1.88 -1.64 0.00 0.00 178.16 177.52 3app h TYR 230 N -1.29 0.00 0.00 -3.82 -1.99 -0.58 -2.11 116.97 107.19 3app h TYR 230 Ca -0.13 0.00 0.00 0.00 2.00 0.00 0.00 58.73 60.60 3app h TYR 230 Cb 0.97 0.00 0.00 0.00 2.00 0.00 0.00 36.73 39.70 3app h TYR 230 CO -0.00 0.00 0.00 -1.13 -0.00 0.00 0.00 178.16 177.03 3app n SER 231 N -2.35 0.44 -1.02 3.88 3.41 0.16 -1.83 113.62 116.32 3app n SER 231 Ca 0.02 0.64 0.11 0.00 -0.26 0.00 0.00 58.87 59.39 3app n SER 231 Cb 0.25 -0.72 0.15 0.00 -0.26 0.00 0.00 64.21 63.63 3app n SER 231 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 3app n GLN 232 N -2.03 2.32 -3.80 4.33 6.02 -0.79 -4.86 117.38 118.57 3app n GLN 232 Ca 0.01 -2.06 -0.37 0.00 -0.01 0.00 0.00 57.00 54.57 3app n GLN 232 Cb 0.13 -1.47 -0.13 0.00 1.02 0.00 0.00 30.24 29.80 3app n GLN 232 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 3app s VAL 233 N -1.66 3.76 0.14 5.09 1.01 -0.76 -4.89 120.40 123.09 3app s VAL 233 Ca 0.32 -0.73 -0.31 0.00 0.00 0.00 0.00 61.98 61.26 3app s VAL 233 Cb 0.20 -2.92 -0.08 0.00 0.00 0.00 0.00 36.38 33.58 3app s VAL 233 CO 0.29 0.12 1.40 -0.55 0.00 0.00 0.00 175.10 176.36 3app s SER 234 N 1.47 6.80 0.00 3.32 0.15 -1.26 -2.62 113.70 121.56 3app s SER 234 Ca 0.02 2.39 0.00 0.00 0.70 0.00 0.00 55.95 59.06 3app s SER 234 Cb -0.17 -2.59 0.00 0.00 -1.71 0.00 0.00 66.02 61.55 3app s SER 234 CO 0.01 -0.65 0.00 0.61 1.20 0.00 0.00 173.24 174.41 3app n GLY 235 N 3.24 0.78 3.74 9.45 0.00 -1.26 -4.74 105.19 116.40 3app n GLY 235 Ca 0.10 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.71 3app n GLY 235 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 3app s ALA 236 N -3.05 3.73 0.06 4.61 0.00 -1.08 -4.75 121.76 121.29 3app s ALA 236 Ca 0.00 1.43 -0.14 0.00 0.00 0.00 0.00 51.96 53.25 3app s ALA 236 Cb 0.00 -3.61 0.02 0.00 0.00 0.00 0.00 23.12 19.53 3app s ALA 236 CO 0.00 -0.84 0.31 1.14 0.00 0.00 0.00 175.76 176.38 3app s GLN 237 N 0.12 0.87 0.12 0.00 -2.07 -0.54 -4.96 119.66 113.20 3app s GLN 237 Ca 0.65 -0.60 -0.25 0.00 -1.82 0.00 0.00 55.36 53.34 3app s GLN 237 Cb -0.45 0.37 -0.07 0.00 -1.09 0.00 0.00 33.01 31.78 3app s GLN 237 CO 0.40 -0.29 0.75 -0.65 -1.32 0.00 0.00 175.29 174.18 3app s GLN 238 N -2.97 4.51 -0.18 9.60 -0.21 -1.26 0.19 119.66 129.33 3app s GLN 238 Ca -0.02 1.08 -0.05 0.00 0.02 0.00 0.00 55.36 56.39 3app s GLN 238 Cb 0.01 -3.29 0.07 0.00 1.00 0.00 0.00 33.01 30.79 3app s GLN 238 CO -0.06 0.48 0.10 0.34 -2.12 0.00 0.00 175.29 174.04 3app s ASP 239 N -0.77 2.37 0.47 5.90 3.68 0.28 -4.92 116.67 123.69 3app s ASP 239 Ca 0.36 -0.64 0.21 0.00 2.13 0.00 0.00 52.55 54.61 3app s ASP 239 Cb -0.22 -0.20 1.18 0.00 -1.45 0.00 0.00 42.92 42.23 3app s ASP 239 CO 0.24 -0.36 1.99 0.77 0.13 0.00 0.00 175.17 177.95 3app h SER 240 N 8.41 0.00 -0.21 -0.34 4.64 -1.94 0.77 113.55 124.88 3app h SER 240 Ca -0.16 0.00 -0.02 0.00 -0.47 0.00 0.00 61.79 61.14 3app h SER 240 Cb 1.14 0.00 -0.01 0.00 -0.31 0.00 0.00 62.40 63.22 3app h SER 240 CO 0.30 0.19 0.06 0.78 -0.87 0.00 0.00 176.83 177.29 3app h ASN 241 N 0.00 0.32 -0.03 4.97 2.35 -1.94 -3.18 115.58 118.06 3app h ASN 241 Ca -0.00 -0.22 -0.15 0.00 -0.55 0.00 0.00 56.30 55.38 3app h ASN 241 Cb 0.41 -0.08 0.01 0.00 0.05 0.00 0.00 38.32 38.71 3app h ASN 241 CO 0.02 0.45 -0.58 0.00 -1.65 0.00 0.00 177.43 175.68 3app h ALA 242 N 0.88 0.11 0.00 -0.83 0.00 -1.34 -3.48 119.26 114.60 3app h ALA 242 Ca 0.07 -0.55 0.00 0.00 0.00 0.00 0.00 54.91 54.43 3app h ALA 242 Cb 0.25 0.02 0.00 0.00 0.00 0.00 0.00 17.79 18.06 3app h ALA 242 CO -0.00 0.37 0.00 0.41 0.00 0.00 0.00 179.25 180.03 3app n GLY 243 N 0.95 0.21 0.00 0.00 0.00 0.25 -5.02 105.19 101.59 3app n GLY 243 Ca -0.10 0.00 0.00 0.00 0.00 0.00 0.00 46.02 45.92 3app n GLY 243 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3app n GLY 244 N 0.00 -0.25 3.74 -0.02 0.00 -0.84 -4.97 105.19 102.85 3app n GLY 244 Ca 0.00 -0.94 -0.42 0.00 0.00 0.00 0.00 46.02 44.66 3app n GLY 244 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3app s TYR 245 N -4.00 2.95 0.25 1.61 1.51 -1.26 -0.56 117.35 117.86 3app s TYR 245 Ca 0.00 0.81 0.05 0.00 -1.01 0.00 0.00 57.07 56.92 3app s TYR 245 Cb 0.00 -3.94 -0.05 0.00 -0.11 0.00 0.00 41.96 37.86 3app s TYR 245 CO 0.00 -3.23 -0.04 0.14 -1.11 0.00 0.00 175.55 171.31 3app s VAL 246 N 0.39 1.34 0.24 0.71 -7.23 0.13 -1.27 120.40 114.71 3app s VAL 246 Ca 0.64 -2.08 -0.22 0.00 -1.81 0.00 0.00 61.98 58.52 3app s VAL 246 Cb -0.44 -2.37 0.04 0.00 0.56 0.00 0.00 36.38 34.16 3app s VAL 246 CO 0.40 -0.34 0.70 0.72 -0.31 0.00 0.00 175.10 176.28 3app s PHE 247 N -3.21 -0.28 0.22 2.82 -0.71 -0.62 -1.46 117.98 114.73 3app s PHE 247 Ca 0.28 -0.10 -0.31 0.00 -1.04 0.00 0.00 56.93 55.75 3app s PHE 247 Cb 0.05 0.67 -0.11 0.00 -1.21 0.00 0.00 43.02 42.41 3app s PHE 247 CO 0.10 -1.11 1.67 0.34 -1.34 0.00 0.00 175.22 174.87 3app s ASP 248 N -2.87 6.41 0.63 1.98 2.15 -1.26 -0.24 116.67 123.47 3app s ASP 248 Ca 0.08 2.84 0.39 0.00 0.43 0.00 0.00 52.55 56.30 3app s ASP 248 Cb -0.04 -2.61 2.14 0.00 -0.30 0.00 0.00 42.92 42.11 3app s ASP 248 CO 0.01 -0.93 2.20 0.00 -0.17 0.00 0.00 175.17 176.28 3app n SER 250 N -2.95 0.80 -4.74 0.00 7.64 -1.26 -4.92 113.62 108.19 3app n SER 250 Ca -0.03 -1.01 -0.40 0.00 1.01 0.00 0.00 58.87 58.44 3app n SER 250 Cb 0.13 -0.01 0.02 0.00 -1.01 0.00 0.00 64.21 63.35 3app n SER 250 CO 0.00 0.00 0.00 0.41 -3.01 0.00 0.00 175.04 172.44 3app n THR 251 N -0.54 2.95 -3.16 0.44 -1.04 -0.04 -4.96 114.28 107.94 3app n THR 251 Ca 0.18 -0.50 -0.43 0.00 -2.04 0.00 0.00 64.05 61.25 3app n THR 251 Cb 0.28 -1.73 -0.07 0.00 -1.82 0.00 0.00 70.33 66.99 3app n THR 251 CO 0.00 0.00 0.00 0.20 -0.64 0.00 0.00 175.07 174.63 3app s ASN 252 N -0.58 6.28 -0.00 8.00 0.01 -1.26 -5.05 114.94 122.34 3app s ASN 252 Ca 0.63 -0.49 -0.09 0.00 -0.71 0.00 0.00 52.86 52.21 3app s ASN 252 Cb -0.46 -2.30 -0.05 0.00 0.41 0.00 0.00 41.25 38.86 3app s ASN 252 CO 0.56 -0.76 0.30 -0.76 -1.51 0.00 0.00 177.10 174.93 3app s LEU 253 N 2.67 4.39 0.76 0.60 1.43 -1.26 -4.92 118.68 122.35 3app s LEU 253 Ca 0.20 0.68 -0.12 0.00 -1.03 0.00 0.00 54.13 53.85 3app s LEU 253 Cb -0.15 -2.61 0.05 0.00 0.03 0.00 0.00 46.19 43.51 3app s LEU 253 CO 0.17 0.28 1.13 -2.84 0.23 0.00 0.00 176.35 175.32 3app s PRO 254 N -1.50 2.15 0.70 1.29 0.02 -1.26 -4.12 135.00 132.28 3app s PRO 254 Ca 0.25 1.40 -0.11 0.00 0.02 0.00 0.00 61.00 62.56 3app s PRO 254 Cb -0.14 -1.87 0.01 0.00 0.02 0.00 0.00 34.50 32.52 3app s PRO 254 CO 0.14 -1.75 1.08 -0.51 -0.33 0.00 0.00 177.00 175.62 3app s ASP 255 N -2.82 5.47 -0.07 2.53 -0.00 -1.26 -3.84 116.67 116.69 3app s ASP 255 Ca 0.66 1.28 0.02 0.00 -0.00 0.00 0.00 52.55 54.51 3app s ASP 255 Cb -0.21 -2.13 0.01 0.00 -0.00 0.00 0.00 42.92 40.59 3app s ASP 255 CO 0.51 -1.34 -0.12 0.12 -0.00 0.00 0.00 175.17 174.33 3app s PHE 256 N -3.25 1.49 0.05 4.23 5.36 -0.32 -0.93 117.98 124.61 3app s PHE 256 Ca 0.58 -0.56 0.02 0.00 -0.96 0.00 0.00 56.93 56.00 3app s PHE 256 Cb -0.12 -1.09 -0.03 0.00 -0.34 0.00 0.00 43.02 41.44 3app s PHE 256 CO 0.53 -0.29 -0.07 -1.54 -1.46 0.00 0.00 175.22 172.40 3app s SER 257 N 0.68 0.82 0.06 6.13 1.04 -0.29 0.47 113.70 122.60 3app s SER 257 Ca -0.14 -0.68 0.06 0.00 0.48 0.00 0.00 55.95 55.66 3app s SER 257 Cb -0.16 0.07 -0.03 0.00 0.10 0.00 0.00 66.02 66.01 3app s SER 257 CO 0.04 -0.30 -0.16 0.68 0.98 0.00 0.00 173.24 174.47 3app s VAL 258 N -2.09 1.29 -0.28 5.02 -7.23 -0.37 -0.88 120.40 115.85 3app s VAL 258 Ca -0.04 -1.19 -0.10 0.00 -1.81 0.00 0.00 61.98 58.83 3app s VAL 258 Cb -0.05 -1.17 -0.04 0.00 0.56 0.00 0.00 36.38 35.67 3app s VAL 258 CO -0.02 -0.04 0.17 -0.55 -0.31 0.00 0.00 175.10 174.35 3app s SER 259 N -1.42 5.81 -0.27 4.85 0.15 -0.40 -0.35 113.70 122.07 3app s SER 259 Ca 0.02 -0.12 0.02 0.00 0.70 0.00 0.00 55.95 56.58 3app s SER 259 Cb -0.09 -2.07 0.07 0.00 -1.71 0.00 0.00 66.02 62.22 3app s SER 259 CO 0.02 -0.07 -0.04 -0.63 1.20 0.00 0.00 173.24 173.72 3app s ILE 260 N 1.72 1.88 -1.57 6.45 1.01 0.15 -0.35 121.20 130.50 3app s ILE 260 Ca 0.07 -1.64 -0.11 0.00 0.00 0.00 0.00 60.65 58.96 3app s ILE 260 Cb -0.16 -2.16 0.09 0.00 0.01 0.00 0.00 42.46 40.24 3app s ILE 260 CO 0.09 -0.24 0.67 -1.20 0.00 0.00 0.00 174.94 174.27 3app n SER 261 N 4.50 -2.36 0.00 3.58 7.64 -1.26 -1.29 113.62 124.42 3app n SER 261 Ca -0.08 -0.98 0.00 0.00 1.01 0.00 0.00 58.87 58.82 3app n SER 261 Cb 0.43 -3.02 0.00 0.00 -1.01 0.00 0.00 64.21 60.61 3app n SER 261 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3app n GLY 262 N -1.66 3.37 3.79 0.23 0.00 -1.26 -4.95 105.19 104.71 3app n GLY 262 Ca -0.08 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.56 3app n GLY 262 CO 0.00 0.00 0.00 -0.47 0.00 0.00 0.00 173.32 172.85 3app s TYR 263 N -2.55 3.68 -0.45 1.61 6.14 -0.41 -5.05 117.35 120.32 3app s TYR 263 Ca 0.00 1.03 -0.17 0.00 0.64 0.00 0.00 57.07 58.57 3app s TYR 263 Cb 0.00 -2.42 0.04 0.00 0.42 0.00 0.00 41.96 40.00 3app s TYR 263 CO 0.00 0.49 0.46 0.99 0.64 0.00 0.00 175.55 178.13 3app s THR 264 N -0.57 5.08 -0.34 4.34 2.01 -1.26 0.35 115.64 125.25 3app s THR 264 Ca 0.26 -0.53 -0.20 0.00 0.31 0.00 0.00 61.69 61.53 3app s THR 264 Cb -0.17 -4.10 -0.00 0.00 0.01 0.00 0.00 72.50 68.23 3app s THR 264 CO 0.14 -0.53 0.61 0.00 -0.69 0.00 0.00 174.62 174.15 3app s ALA 265 N 2.12 3.48 -0.15 7.40 0.00 0.52 -4.94 121.76 130.20 3app s ALA 265 Ca 0.11 -0.82 -0.03 0.00 0.00 0.00 0.00 51.96 51.22 3app s ALA 265 Cb -0.19 -3.12 -0.02 0.00 0.00 0.00 0.00 23.12 19.78 3app s ALA 265 CO 0.12 -1.24 -0.06 0.99 0.00 0.00 0.00 175.76 175.57 3app s THR 266 N 2.63 3.68 -0.37 0.00 2.01 -1.26 -1.24 115.64 121.08 3app s THR 266 Ca 0.24 -0.43 -0.14 0.00 0.31 0.00 0.00 61.69 61.66 3app s THR 266 Cb -0.15 -2.60 0.00 0.00 0.01 0.00 0.00 72.50 69.76 3app s THR 266 CO 0.14 0.50 0.29 -0.69 -0.69 0.00 0.00 174.62 174.17 3app s VAL 267 N 0.41 5.24 0.50 3.82 1.01 0.18 -4.92 120.40 126.64 3app s VAL 267 Ca -0.05 -0.36 -0.22 0.00 0.00 0.00 0.00 61.98 61.35 3app s VAL 267 Cb -0.15 -3.84 -0.06 0.00 0.00 0.00 0.00 36.38 32.34 3app s VAL 267 CO 0.03 -0.17 1.22 -2.16 0.00 0.00 0.00 175.10 174.03 3app s PRO 268 N 1.78 3.49 0.50 2.72 0.04 -1.26 -1.17 135.00 141.10 3app s PRO 268 Ca 0.07 1.90 0.28 0.00 0.04 0.00 0.00 61.00 63.29 3app s PRO 268 Cb -0.18 -2.30 1.37 0.00 0.04 0.00 0.00 34.50 33.43 3app s PRO 268 CO 0.11 -0.80 1.85 0.78 0.04 0.00 0.00 177.00 178.97 3app h GLY 269 N 1.73 0.35 2.00 0.56 0.00 -1.71 -0.28 103.07 105.72 3app h GLY 269 Ca -0.50 -0.07 -0.08 0.00 0.00 0.00 0.00 47.33 46.69 3app h GLY 269 CO 0.59 -0.02 -0.36 1.48 0.00 0.00 0.00 176.54 178.22 3app h SER 270 N 0.13 0.00 1.83 0.19 4.64 -1.89 -1.73 113.55 116.73 3app h SER 270 Ca 0.49 0.00 -0.01 0.00 -0.47 0.00 0.00 61.79 61.79 3app h SER 270 Cb 1.69 0.00 -0.00 0.00 -0.31 0.00 0.00 62.40 63.78 3app h SER 270 CO -0.08 0.36 -0.17 -0.07 -0.87 0.00 0.00 176.83 176.00 3app h LEU 271 N 0.00 0.00 -0.02 5.97 3.38 -1.40 -3.15 115.31 120.09 3app h LEU 271 Ca -0.00 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.97 3app h LEU 271 Cb 0.70 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.45 3app h LEU 271 CO 0.05 0.06 0.00 -0.38 0.09 0.00 0.00 178.44 178.26 3app n ILE 272 N -3.07 0.36 -2.80 1.22 5.41 -0.66 -4.40 119.36 115.43 3app n ILE 272 Ca 0.03 0.07 -0.43 0.00 1.00 0.00 0.00 62.75 63.42 3app n ILE 272 Cb 0.56 -0.68 -0.04 0.00 -0.71 0.00 0.00 39.64 38.77 3app n ILE 272 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 3app s ASN 273 N -3.11 6.21 0.12 4.38 3.84 -1.19 -0.03 114.94 125.17 3app s ASN 273 Ca 0.11 -0.73 -0.14 0.00 0.21 0.00 0.00 52.86 52.31 3app s ASN 273 Cb 0.15 -2.45 -0.02 0.00 -0.55 0.00 0.00 41.25 38.38 3app s ASN 273 CO 0.45 -1.46 1.56 0.22 -2.79 0.00 0.00 177.10 175.07 3app h TYR 274 N 9.59 0.80 0.00 0.43 3.20 -1.22 -3.47 116.97 126.30 3app h TYR 274 Ca -0.28 -0.15 0.00 0.00 3.14 0.00 0.00 58.73 61.44 3app h TYR 274 Cb 1.07 -0.20 0.00 0.00 1.54 0.00 0.00 36.73 39.13 3app h TYR 274 CO 0.98 0.82 0.00 0.41 -1.64 0.00 0.00 178.16 178.74 3app n GLY 275 N -0.30 -0.09 3.67 1.82 0.00 -1.24 -4.90 105.19 104.15 3app n GLY 275 Ca -0.01 -1.69 -0.44 0.00 0.00 0.00 0.00 46.02 43.88 3app n GLY 275 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 3app n PRO 276 N -0.68 2.01 0.04 1.61 -0.02 -1.26 0.53 135.00 137.23 3app n PRO 276 Ca 0.00 0.71 0.13 0.00 -2.02 0.00 0.00 63.50 62.32 3app n PRO 276 Cb 0.00 -2.34 0.52 0.00 -0.02 0.00 0.00 33.50 31.66 3app n PRO 276 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 3app n SER 277 N 1.81 0.28 -1.94 2.55 3.41 0.06 -4.60 113.62 115.20 3app n SER 277 Ca 0.10 0.53 -0.06 0.00 -0.26 0.00 0.00 58.87 59.18 3app n SER 277 Cb 0.32 -0.61 0.03 0.00 -0.26 0.00 0.00 64.21 63.70 3app n SER 277 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 3app n GLY 278 N 1.20 0.16 0.00 5.00 0.00 -1.26 -4.63 105.19 105.66 3app n GLY 278 Ca 0.06 -0.19 0.00 0.00 0.00 0.00 0.00 46.02 45.89 3app n GLY 278 CO 0.00 0.00 0.00 2.09 0.00 0.00 0.00 173.32 175.41 3app n ASP 279 N -1.86 0.00 -0.02 1.61 5.75 -1.26 -4.93 116.55 115.84 3app n ASP 279 Ca -0.08 0.00 0.00 0.00 -0.01 0.00 0.00 54.79 54.70 3app n ASP 279 Cb 0.56 0.00 0.00 0.00 -1.03 0.00 0.00 41.12 40.65 3app n ASP 279 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 3app n GLY 280 N 0.00 -1.15 1.04 6.12 0.00 -1.26 -4.25 105.19 105.69 3app n GLY 280 Ca 0.00 -1.24 -0.01 0.00 0.00 0.00 0.00 46.02 44.77 3app n GLY 280 CO 0.00 0.00 0.00 -1.14 0.00 0.00 0.00 173.32 172.18 3app n SER 281 N -0.45 3.03 -4.48 1.61 3.41 -1.26 -4.85 113.62 110.64 3app n SER 281 Ca 0.00 -2.05 -0.23 0.00 -0.26 0.00 0.00 58.87 56.33 3app n SER 281 Cb 0.00 -0.51 -0.10 0.00 -0.26 0.00 0.00 64.21 63.33 3app n SER 281 CO 0.00 0.00 0.00 0.42 -0.16 0.00 0.00 175.04 175.30 3app s THR 282 N -0.10 1.78 0.13 6.66 -4.23 -1.26 -4.16 115.64 114.45 3app s THR 282 Ca 0.02 -2.11 0.11 0.00 -1.18 0.00 0.00 61.69 58.52 3app s THR 282 Cb 0.01 -2.61 -0.04 0.00 1.34 0.00 0.00 72.50 71.21 3app s THR 282 CO 0.00 -0.20 -0.25 0.00 -0.54 0.00 0.00 174.62 173.63 3app s LEU 284 N -2.08 4.47 0.24 0.00 0.20 0.19 -1.59 118.68 120.11 3app s LEU 284 Ca 0.15 1.13 -0.30 0.00 0.69 0.00 0.00 54.13 55.81 3app s LEU 284 Cb -0.10 -2.88 -0.09 0.00 -0.43 0.00 0.00 46.19 42.69 3app s LEU 284 CO 0.07 0.25 1.07 -0.83 -0.29 0.00 0.00 176.35 176.63 3app s GLY 285 N -1.23 3.01 0.46 7.98 0.00 -0.39 -0.89 107.32 116.26 3app s GLY 285 Ca 0.29 0.83 0.27 0.00 0.00 0.00 0.00 44.72 46.11 3app s GLY 285 CO 0.17 1.50 1.75 -1.33 0.00 0.00 0.00 173.10 175.20 3app h GLY 286 N 4.25 0.00 -6.63 0.20 0.00 -0.77 -3.42 103.07 96.70 3app h GLY 286 Ca -0.46 0.00 -0.61 0.00 0.00 0.00 0.00 47.33 46.26 3app h GLY 286 CO 0.69 0.00 -0.28 -0.42 0.00 0.00 0.00 176.54 176.53 3app s ILE 287 N -3.37 5.24 0.20 2.60 1.01 -1.26 -0.24 121.20 125.37 3app s ILE 287 Ca 0.05 0.57 -0.07 0.00 0.00 0.00 0.00 60.65 61.20 3app s ILE 287 Cb 0.07 -3.67 -0.02 0.00 0.01 0.00 0.00 42.46 38.85 3app s ILE 287 CO 0.61 0.27 0.27 -1.10 0.00 0.00 0.00 174.94 174.99 3app s GLN 288 N 1.32 1.26 0.42 2.79 -1.52 0.10 -4.82 119.66 119.22 3app s GLN 288 Ca 0.16 -1.37 -0.25 0.00 -1.95 0.00 0.00 55.36 51.94 3app s GLN 288 Cb -0.15 0.36 -0.08 0.00 -0.22 0.00 0.00 33.01 32.92 3app s GLN 288 CO 0.07 -0.46 1.30 0.45 -0.25 0.00 0.00 175.29 176.41 3app s SER 289 N -3.05 6.20 0.00 5.90 0.15 -1.26 -1.16 113.70 120.47 3app s SER 289 Ca 0.26 2.65 0.17 0.00 0.70 0.00 0.00 55.95 59.74 3app s SER 289 Cb 0.04 -2.64 0.61 0.00 -1.71 0.00 0.00 66.02 62.32 3app s SER 289 CO 0.07 -0.93 1.45 -0.46 1.20 0.00 0.00 173.24 174.57 3app n ASN 290 N -0.02 1.60 -2.83 5.45 0.23 -0.55 -4.64 115.26 114.50 3app n ASN 290 Ca 0.04 -1.80 -0.21 0.00 -0.53 0.00 0.00 54.58 52.09 3app n ASN 290 Cb 0.44 -0.14 0.01 0.00 -2.08 0.00 0.00 39.78 38.01 3app n ASN 290 CO 0.00 0.00 0.00 -1.20 -0.93 0.00 0.00 177.26 175.13 3app n SER 291 N 0.31 -5.48 -1.87 0.53 7.64 -1.26 -2.52 113.62 110.97 3app n SER 291 Ca 0.14 -0.17 -0.15 0.00 1.01 0.00 0.00 58.87 59.70 3app n SER 291 Cb 0.30 -4.49 0.01 0.00 -1.01 0.00 0.00 64.21 59.01 3app n SER 291 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 3app n GLY 292 N -1.25 -0.21 0.23 0.23 0.00 -1.26 -4.92 105.19 98.00 3app n GLY 292 Ca -0.14 -0.22 0.15 0.00 0.00 0.00 0.00 46.02 45.81 3app n GLY 292 CO 0.00 0.00 0.00 1.19 0.00 0.00 0.00 173.32 174.51 3app h ILE 293 N -0.38 0.00 0.00 -0.61 2.10 -1.91 -3.47 117.51 113.23 3app h ILE 293 Ca -0.36 -0.54 0.00 0.00 1.08 0.00 0.00 64.86 65.04 3app h ILE 293 Cb 1.26 1.49 0.00 0.00 -1.09 0.00 0.00 36.82 38.48 3app h ILE 293 CO 0.41 0.00 0.00 0.61 -1.08 0.00 0.00 178.15 178.09 3app n GLY 294 N 0.31 0.33 3.27 8.18 0.00 -1.26 -5.06 105.19 110.96 3app n GLY 294 Ca 0.02 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.93 3app n GLY 294 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 173.32 173.21 3app s PHE 295 N -2.00 -0.11 0.25 1.61 -0.71 -1.26 -4.92 117.98 110.84 3app s PHE 295 Ca 0.00 -0.13 -0.06 0.00 -1.04 0.00 0.00 56.93 55.70 3app s PHE 295 Cb 0.00 0.14 -0.06 0.00 -1.21 0.00 0.00 43.02 41.89 3app s PHE 295 CO 0.00 -0.59 0.53 -1.12 -1.34 0.00 0.00 175.22 172.70 3app s SER 296 N -2.47 6.49 -0.33 1.98 0.01 -0.25 -4.89 113.70 114.24 3app s SER 296 Ca -0.00 0.74 -0.04 0.00 1.31 0.00 0.00 55.95 57.96 3app s SER 296 Cb 0.01 -2.15 0.05 0.00 0.21 0.00 0.00 66.02 64.14 3app s SER 296 CO -0.08 -0.13 0.08 -0.63 0.41 0.00 0.00 173.24 172.89 3app s ILE 297 N -1.96 3.38 -1.10 1.44 1.01 0.66 -0.96 121.20 123.67 3app s ILE 297 Ca 0.44 -1.38 -0.17 0.00 0.00 0.00 0.00 60.65 59.55 3app s ILE 297 Cb -0.11 -2.98 0.13 0.00 0.01 0.00 0.00 42.46 39.51 3app s ILE 297 CO 0.27 -0.22 1.37 -0.36 0.00 0.00 0.00 174.94 176.00 3app s PHE 298 N 1.30 3.17 0.00 3.97 0.40 0.65 -1.40 117.98 126.07 3app s PHE 298 Ca -0.02 -1.68 0.00 0.00 -0.60 0.00 0.00 56.93 54.64 3app s PHE 298 Cb -0.20 -4.40 0.00 0.00 0.51 0.00 0.00 43.02 38.92 3app s PHE 298 CO 0.00 -1.54 0.00 0.41 0.70 0.00 0.00 175.22 174.79 3app n GLY 299 N 5.05 -0.88 0.33 4.36 0.00 -1.04 -1.85 105.19 111.16 3app n GLY 299 Ca 0.34 -1.69 0.09 0.00 0.00 0.00 0.00 46.02 44.75 3app n GLY 299 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 3app h ASP 300 N 0.00 0.66 -0.57 1.61 3.45 -0.78 -0.65 116.42 120.14 3app h ASP 300 Ca 0.00 0.09 0.12 0.00 0.43 0.00 0.00 57.03 57.66 3app h ASP 300 Cb 0.00 -0.03 -0.10 0.00 -0.56 0.00 0.00 39.33 38.64 3app h ASP 300 CO 0.00 0.28 -0.04 0.40 -1.57 0.00 0.00 179.24 178.31 3app h ILE 301 N 0.72 0.51 -0.16 0.35 1.08 -1.69 -0.78 117.51 117.54 3app h ILE 301 Ca 0.50 -0.03 -0.03 0.00 -0.39 0.00 0.00 64.86 64.91 3app h ILE 301 Cb 0.69 0.42 -0.01 0.00 -3.07 0.00 0.00 36.82 34.85 3app h ILE 301 CO -0.35 0.02 -0.02 0.15 -0.69 0.00 0.00 178.15 177.25 3app h PHE 302 N 0.08 0.33 0.00 1.37 3.57 -1.56 -3.31 116.94 117.43 3app h PHE 302 Ca 0.29 -0.07 -0.02 0.00 3.53 0.00 0.00 57.97 61.70 3app h PHE 302 Cb 0.45 -0.08 -0.00 0.00 2.79 0.00 0.00 35.95 39.11 3app h PHE 302 CO -0.38 0.55 -0.11 -0.07 -2.23 0.00 0.00 178.31 176.07 3app h LEU 303 N 0.02 0.00 -1.14 0.59 3.38 -0.67 -2.49 115.31 115.00 3app h LEU 303 Ca 0.04 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.01 3app h LEU 303 Cb 0.43 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.18 3app h LEU 303 CO 0.01 0.11 0.00 0.11 0.09 0.00 0.00 178.44 178.76 3app h LYS 304 N 0.00 0.00 0.00 1.13 1.57 -1.24 -2.35 116.57 115.68 3app h LYS 304 Ca -0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 3app h LYS 304 Cb 0.42 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.73 3app h LYS 304 CO 0.01 0.00 -1.34 -1.13 -0.57 0.00 0.00 179.45 176.42 3app n SER 305 N -2.31 0.51 -4.48 0.86 3.41 -0.94 -4.77 113.62 105.90 3app n SER 305 Ca 0.00 0.08 -0.24 0.00 -0.26 0.00 0.00 58.87 58.45 3app n SER 305 Cb 0.14 1.05 -0.10 0.00 -0.26 0.00 0.00 64.21 65.04 3app n SER 305 CO 0.00 0.00 0.00 -1.10 -0.16 0.00 0.00 175.04 173.78 3app s GLN 306 N -3.37 1.68 -0.20 4.33 -1.52 -0.88 -2.26 119.66 117.44 3app s GLN 306 Ca -0.02 -1.84 -0.07 0.00 -1.95 0.00 0.00 55.36 51.49 3app s GLN 306 Cb 0.12 -1.54 -0.03 0.00 -0.22 0.00 0.00 33.01 31.34 3app s GLN 306 CO 0.83 0.16 0.05 -0.47 -0.25 0.00 0.00 175.29 175.61 3app s TYR 307 N -2.71 3.15 -0.08 0.91 6.14 0.37 -4.55 117.35 120.57 3app s TYR 307 Ca 0.30 -0.16 0.03 0.00 0.64 0.00 0.00 57.07 57.88 3app s TYR 307 Cb 0.01 -2.11 0.01 0.00 0.42 0.00 0.00 41.96 40.29 3app s TYR 307 CO 0.14 -0.06 -0.18 0.08 0.64 0.00 0.00 175.55 176.18 3app s VAL 308 N 0.79 1.56 -0.23 3.14 1.01 -0.83 -2.43 120.40 123.42 3app s VAL 308 Ca 0.03 -0.73 -0.07 0.00 0.00 0.00 0.00 61.98 61.20 3app s VAL 308 Cb -0.14 -1.38 -0.03 0.00 0.00 0.00 0.00 36.38 34.83 3app s VAL 308 CO 0.02 0.45 0.07 -0.69 0.00 0.00 0.00 175.10 174.95 3app s VAL 309 N 0.48 4.53 -0.59 2.92 1.01 0.26 -0.48 120.40 128.53 3app s VAL 309 Ca -0.16 -0.11 -0.13 0.00 0.00 0.00 0.00 61.98 61.58 3app s VAL 309 Cb -0.16 -3.09 0.15 0.00 0.00 0.00 0.00 36.38 33.27 3app s VAL 309 CO 0.06 0.38 0.51 -0.36 0.00 0.00 0.00 175.10 175.69 3app s PHE 310 N 1.16 3.42 -0.29 5.22 0.40 0.11 -0.85 117.98 127.15 3app s PHE 310 Ca 0.05 -1.68 -0.08 0.00 -0.60 0.00 0.00 56.93 54.61 3app s PHE 310 Cb -0.14 -3.69 -0.00 0.00 0.51 0.00 0.00 43.02 39.70 3app s PHE 310 CO 0.03 -1.00 0.10 0.34 0.70 0.00 0.00 175.22 175.40 3app s ASP 311 N 2.87 5.25 0.15 1.36 -1.08 -0.54 -1.46 116.67 123.22 3app s ASP 311 Ca 0.08 -0.58 0.16 0.00 -0.52 0.00 0.00 52.55 51.69 3app s ASP 311 Cb -0.24 -1.92 0.73 0.00 -1.46 0.00 0.00 42.92 40.02 3app s ASP 311 CO -0.01 -0.17 1.49 -1.54 0.52 0.00 0.00 175.17 175.46 3app n SER 312 N 4.91 0.33 -4.54 -0.34 3.41 -0.38 -1.16 113.62 115.86 3app n SER 312 Ca -0.15 0.61 -0.43 0.00 -0.26 0.00 0.00 58.87 58.65 3app n SER 312 Cb 0.49 -0.67 -0.04 0.00 -0.26 0.00 0.00 64.21 63.73 3app n SER 312 CO 0.00 0.00 0.00 -1.81 -0.16 0.00 0.00 175.04 173.07 3app s ASP 313 N -3.61 6.41 0.00 4.04 -0.00 -1.26 -4.00 116.67 118.24 3app s ASP 313 Ca 0.03 -0.14 0.00 0.00 -0.00 0.00 0.00 52.55 52.44 3app s ASP 313 Cb 0.07 -2.45 0.00 0.00 -0.00 0.00 0.00 42.92 40.54 3app s ASP 313 CO 0.24 -1.16 0.00 0.61 -0.00 0.00 0.00 175.17 174.85 3app n GLY 314 N 5.04 1.45 3.78 0.21 0.00 -1.26 -3.76 105.19 110.64 3app n GLY 314 Ca 0.04 -0.32 -0.30 0.00 0.00 0.00 0.00 46.02 45.44 3app n GLY 314 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 3app s PRO 315 N 0.00 1.76 0.16 1.61 0.04 -1.26 -4.94 135.00 132.38 3app s PRO 315 Ca 0.00 0.67 -0.12 0.00 0.04 0.00 0.00 61.00 61.59 3app s PRO 315 Cb 0.00 -1.88 0.01 0.00 0.04 0.00 0.00 34.50 32.67 3app s PRO 315 CO 0.00 -1.85 0.35 1.14 0.04 0.00 0.00 177.00 176.68 3app s GLN 316 N -5.10 1.16 -0.07 4.56 -2.07 -0.31 -1.59 119.66 116.24 3app s GLN 316 Ca 0.62 -1.00 0.04 0.00 -1.82 0.00 0.00 55.36 53.20 3app s GLN 316 Cb -0.15 0.42 -0.00 0.00 -1.09 0.00 0.00 33.01 32.19 3app s GLN 316 CO 0.55 -0.45 -0.22 -0.51 -1.32 0.00 0.00 175.29 173.34 3app s LEU 317 N -2.91 2.01 0.04 2.60 1.43 -0.48 -1.47 118.68 119.90 3app s LEU 317 Ca 0.11 -0.49 0.04 0.00 -1.03 0.00 0.00 54.13 52.77 3app s LEU 317 Cb 0.02 -1.27 -0.04 0.00 0.03 0.00 0.00 46.19 44.93 3app s LEU 317 CO -0.04 0.17 -0.05 -0.83 0.23 0.00 0.00 176.35 175.83 3app s GLY 318 N 0.18 1.81 0.04 -3.19 0.00 -0.03 -1.04 107.32 105.08 3app s GLY 318 Ca -0.12 -1.07 0.04 0.00 0.00 0.00 0.00 44.72 43.57 3app s GLY 318 CO 0.06 -0.98 -0.12 -1.36 0.00 0.00 0.00 173.10 170.70 3app s PHE 319 N -1.11 1.03 0.09 1.90 0.08 0.17 -0.57 117.98 119.57 3app s PHE 319 Ca 0.20 -0.36 -0.25 0.00 0.12 0.00 0.00 56.93 56.64 3app s PHE 319 Cb -0.11 -0.61 0.07 0.00 -0.57 0.00 0.00 43.02 41.80 3app s PHE 319 CO 0.11 0.01 0.64 0.00 -0.10 0.00 0.00 175.22 175.87 3app s ALA 320 N -0.89 -1.66 0.33 5.36 0.00 -1.02 -1.81 121.76 122.07 3app s ALA 320 Ca -0.01 0.74 -0.28 0.00 0.00 0.00 0.00 51.96 52.41 3app s ALA 320 Cb -0.08 0.62 -0.10 0.00 0.00 0.00 0.00 23.12 23.56 3app s ALA 320 CO 0.01 -0.65 1.20 -2.14 0.00 0.00 0.00 175.76 174.17 3app s PRO 321 N -3.01 4.40 0.41 0.00 0.02 -1.26 -0.48 135.00 135.08 3app s PRO 321 Ca -0.02 1.98 -0.26 0.00 0.02 0.00 0.00 61.00 62.72 3app s PRO 321 Cb -0.01 -3.03 -0.08 0.00 0.02 0.00 0.00 34.50 31.40 3app s PRO 321 CO -0.06 -0.06 1.31 -0.65 -0.33 0.00 0.00 177.00 177.20 3app s GLN 322 N -1.77 3.92 0.00 5.54 -0.21 -0.96 -1.46 119.66 124.72 3app s GLN 322 Ca 0.49 2.16 0.29 0.00 0.02 0.00 0.00 55.36 58.32 3app s GLN 322 Cb -0.35 -2.72 1.36 0.00 1.00 0.00 0.00 33.01 32.31 3app s GLN 322 CO 0.45 -0.53 1.92 0.00 -2.12 0.00 0.00 175.29 175.01