#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2shp n SER 3 N 0.00 1.56 0.00 4.39 3.41 -1.26 -4.39 113.62 117.33 2shp n SER 3 Ca 0.00 -2.03 0.00 0.00 -0.26 0.00 0.00 58.87 56.58 2shp n SER 3 Cb 0.00 -0.51 0.00 0.00 -0.26 0.00 0.00 64.21 63.44 2shp n SER 3 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 2shp n ARG 4 N 0.12 -0.92 0.15 4.33 5.12 -1.26 -4.76 116.66 119.43 2shp n ARG 4 Ca 0.01 0.16 0.10 0.00 -1.93 0.00 0.00 57.85 56.19 2shp n ARG 4 Cb 0.33 -3.81 0.61 0.00 -1.16 0.00 0.00 32.46 28.43 2shp n ARG 4 CO 0.00 0.00 0.00 0.00 -1.93 0.00 0.00 177.63 175.70 2shp h ARG 5 N 0.00 0.10 0.00 5.56 2.47 -1.93 0.10 114.38 120.69 2shp h ARG 5 Ca 0.00 -0.01 0.00 0.00 -1.26 0.00 0.00 59.98 58.71 2shp h ARG 5 Cb 0.32 -0.02 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2shp h ARG 5 CO 0.00 0.07 0.00 -2.67 0.56 0.00 0.00 179.97 177.93 2shp n TRP 6 N -4.50 0.41 -2.97 3.04 4.27 -1.26 0.12 117.44 116.56 2shp n TRP 6 Ca 0.01 0.16 -0.41 0.00 -3.89 0.00 0.00 57.50 53.37 2shp n TRP 6 Cb 0.20 -0.75 -0.05 0.00 -1.36 0.00 0.00 31.31 29.35 2shp n TRP 6 CO 0.00 0.00 0.00 0.12 -2.29 0.00 0.00 177.69 175.52 2shp s PHE 7 N -3.15 3.35 -0.40 -2.67 5.36 0.36 -0.60 117.98 120.22 2shp s PHE 7 Ca 0.06 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 57.04 2shp s PHE 7 Cb 0.10 -2.96 0.08 0.00 -0.34 0.00 0.00 43.02 39.90 2shp s PHE 7 CO 0.35 -0.30 0.21 -1.01 -1.46 0.00 0.00 175.22 173.01 2shp s HIS 8 N 2.42 3.38 0.32 10.12 3.76 0.21 -4.76 115.29 130.75 2shp s HIS 8 Ca 0.33 -1.77 0.08 0.00 -0.15 0.00 0.00 55.06 53.56 2shp s HIS 8 Cb -0.16 -2.89 0.54 0.00 1.11 0.00 0.00 32.58 31.18 2shp s HIS 8 CO 0.09 -0.87 1.75 -1.00 -0.85 0.00 0.00 174.74 173.86 2shp h PRO 9 N 8.27 0.20 -3.01 8.40 0.13 -1.97 -3.37 132.00 140.65 2shp h PRO 9 Ca -0.20 -0.08 -0.60 0.00 -0.87 0.00 0.00 66.00 64.24 2shp h PRO 9 Cb 1.07 -0.01 -0.40 0.00 0.13 0.00 0.00 31.00 31.80 2shp h PRO 9 CO 0.71 0.55 -0.76 0.54 -0.23 0.00 0.00 178.00 178.81 2shp s ASN 10 N -6.88 3.60 -0.18 1.44 4.22 -1.26 -4.68 114.94 111.20 2shp s ASN 10 Ca -0.04 -2.41 -0.15 0.00 -2.14 0.00 0.00 52.86 48.12 2shp s ASN 10 Cb 0.14 -0.91 0.05 0.00 1.28 0.00 0.00 41.25 41.81 2shp s ASN 10 CO 0.76 -0.30 0.46 -0.51 -2.04 0.00 0.00 177.10 175.48 2shp s ILE 11 N 0.66 -0.00 0.87 0.54 2.07 -1.26 -5.16 121.20 118.92 2shp s ILE 11 Ca 0.16 0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.30 2shp s ILE 11 Cb -0.23 -0.65 0.12 0.00 0.13 0.00 0.00 42.46 41.82 2shp s ILE 11 CO -0.03 0.01 1.16 -0.89 -1.91 0.00 0.00 174.94 173.28 2shp s THR 12 N 0.46 2.00 0.16 4.00 2.01 -1.26 -4.90 115.64 118.11 2shp s THR 12 Ca -0.02 0.00 -0.14 0.00 0.31 0.00 0.00 61.69 61.84 2shp s THR 12 Cb -0.04 -2.86 0.05 0.00 0.01 0.00 0.00 72.50 69.66 2shp s THR 12 CO -0.02 0.00 1.75 1.23 -0.69 0.00 0.00 174.62 176.89 2shp h GLY 13 N -1.33 0.79 0.82 4.40 0.00 -1.99 -0.59 103.07 105.17 2shp h GLY 13 Ca -0.48 -0.39 -0.03 0.00 0.00 0.00 0.00 47.33 46.43 2shp h GLY 13 CO 0.63 0.37 -0.00 -2.08 0.00 0.00 0.00 176.54 175.45 2shp h VAL 14 N 0.69 1.25 -0.64 4.60 2.07 -1.99 -1.19 116.25 121.04 2shp h VAL 14 Ca 0.18 -0.87 0.10 0.00 0.82 0.00 0.00 66.70 66.93 2shp h VAL 14 Cb 0.11 1.44 -0.07 0.00 -1.52 0.00 0.00 31.29 31.24 2shp h VAL 14 CO -0.02 0.26 0.27 -0.33 0.02 0.00 0.00 177.57 177.77 2shp h GLU 15 N 0.10 0.45 -0.43 1.57 5.08 -1.93 -0.02 114.58 119.41 2shp h GLU 15 Ca 0.06 -0.03 -0.01 0.00 -1.00 0.00 0.00 59.36 58.38 2shp h GLU 15 Cb 0.39 -0.10 -0.02 0.00 0.50 0.00 0.00 28.75 29.52 2shp h GLU 15 CO 0.01 0.30 0.24 0.00 -1.00 0.00 0.00 179.01 178.56 2shp h ALA 16 N 1.43 0.55 0.05 3.43 0.00 -0.77 0.46 119.26 124.40 2shp h ALA 16 Ca 0.32 -0.08 -0.00 0.00 0.00 0.00 0.00 54.91 55.15 2shp h ALA 16 Cb 0.39 -0.17 0.00 0.00 0.00 0.00 0.00 17.79 18.01 2shp h ALA 16 CO -0.30 0.07 -0.02 0.93 0.00 0.00 0.00 179.25 179.92 2shp h GLU 17 N 0.56 -0.06 -0.28 0.00 5.08 -0.84 -1.08 114.58 117.97 2shp h GLU 17 Ca 0.15 0.00 0.03 0.00 -1.00 0.00 0.00 59.36 58.54 2shp h GLU 17 Cb 0.04 0.01 -0.04 0.00 0.50 0.00 0.00 28.75 29.27 2shp h GLU 17 CO -0.03 0.02 -0.23 -0.91 -1.00 0.00 0.00 179.01 176.86 2shp h ASN 18 N -0.12 -0.80 -0.82 1.42 2.35 -0.76 -0.91 115.58 115.93 2shp h ASN 18 Ca -0.01 0.11 0.16 0.00 -0.55 0.00 0.00 56.30 56.02 2shp h ASN 18 Cb 0.11 0.34 -0.10 0.00 0.05 0.00 0.00 38.32 38.72 2shp h ASN 18 CO 0.01 -0.13 0.37 0.25 -1.65 0.00 0.00 177.43 176.28 2shp h LEU 19 N -0.08 0.39 -0.51 1.61 5.85 -0.81 0.28 115.31 122.03 2shp h LEU 19 Ca 0.05 0.11 -0.14 0.00 0.84 0.00 0.00 57.88 58.74 2shp h LEU 19 Cb 0.20 0.07 -0.01 0.00 0.37 0.00 0.00 40.66 41.29 2shp h LEU 19 CO -0.30 0.13 -0.28 -0.07 -0.34 0.00 0.00 178.44 177.58 2shp h LEU 20 N 0.50 0.95 -0.11 2.25 3.38 -1.00 0.10 115.31 121.39 2shp h LEU 20 Ca 0.46 -0.38 -0.14 0.00 0.09 0.00 0.00 57.88 57.91 2shp h LEU 20 Cb 0.73 -0.26 0.01 0.00 0.09 0.00 0.00 40.66 41.22 2shp h LEU 20 CO -0.41 1.16 -0.47 -0.07 0.09 0.00 0.00 178.44 178.74 2shp h LEU 21 N 0.78 0.60 0.13 1.67 3.38 0.24 -1.48 115.31 120.63 2shp h LEU 21 Ca 0.09 -0.63 -0.33 0.00 0.09 0.00 0.00 57.88 57.10 2shp h LEU 21 Cb 0.85 -0.18 -0.01 0.00 0.09 0.00 0.00 40.66 41.41 2shp h LEU 21 CO 0.07 1.13 -1.72 0.71 0.09 0.00 0.00 178.44 178.73 2shp h THR 22 N 0.11 0.95 -0.02 0.22 1.35 -1.05 -3.39 112.91 111.08 2shp h THR 22 Ca -0.03 -2.60 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2shp h THR 22 Cb 1.11 2.68 0.00 0.00 -1.73 0.00 0.00 68.15 70.20 2shp h THR 22 CO 0.10 0.82 -0.10 0.54 -0.25 0.00 0.00 175.52 176.63 2shp n ARG 23 N -3.47 1.46 -4.62 4.72 5.12 0.33 -5.02 116.66 115.19 2shp n ARG 23 Ca -0.22 -1.32 -0.28 0.00 -1.93 0.00 0.00 57.85 54.10 2shp n ARG 23 Cb 1.06 -1.31 -0.09 0.00 -1.16 0.00 0.00 32.46 30.95 2shp n ARG 23 CO 0.00 0.00 0.00 0.20 -1.93 0.00 0.00 177.63 175.90 2shp s GLY 24 N -1.56 2.67 0.45 -0.13 0.00 -0.56 -4.96 107.32 103.22 2shp s GLY 24 Ca 0.18 -1.24 0.03 0.00 0.00 0.00 0.00 44.72 43.69 2shp s GLY 24 CO 0.27 -2.02 0.07 -1.34 0.00 0.00 0.00 173.10 170.08 2shp s VAL 25 N -3.00 0.93 0.22 1.40 -7.23 -1.26 -4.70 120.40 106.76 2shp s VAL 25 Ca 0.21 -2.00 -0.32 0.00 -1.81 0.00 0.00 61.98 58.06 2shp s VAL 25 Cb 0.05 -2.33 -0.13 0.00 0.56 0.00 0.00 36.38 34.53 2shp s VAL 25 CO 0.11 0.00 1.54 0.47 -0.31 0.00 0.00 175.10 176.91 2shp n ASP 26 N -1.24 3.23 0.00 4.85 8.00 -1.26 -1.13 116.55 129.00 2shp n ASP 26 Ca -0.11 1.11 0.00 0.00 0.71 0.00 0.00 54.79 56.50 2shp n ASP 26 Cb 0.66 -1.48 0.00 0.00 -0.02 0.00 0.00 41.12 40.28 2shp n ASP 26 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 2shp n GLY 27 N 2.80 0.92 3.77 0.44 0.00 0.36 -4.88 105.19 108.61 2shp n GLY 27 Ca 0.13 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.78 2shp n GLY 27 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2shp s SER 28 N -2.89 6.69 0.03 1.61 0.01 -0.28 -0.10 113.70 118.77 2shp s SER 28 Ca 0.00 2.18 -0.11 0.00 1.31 0.00 0.00 55.95 59.34 2shp s SER 28 Cb 0.00 -2.60 0.01 0.00 0.21 0.00 0.00 66.02 63.64 2shp s SER 28 CO 0.00 -0.55 0.23 0.72 0.41 0.00 0.00 173.24 174.05 2shp s PHE 29 N -1.51 -0.01 0.05 2.43 -0.71 -0.76 -0.90 117.98 116.56 2shp s PHE 29 Ca 0.56 -0.13 -0.03 0.00 -1.04 0.00 0.00 56.93 56.29 2shp s PHE 29 Cb -0.26 0.01 -0.03 0.00 -1.21 0.00 0.00 43.02 41.53 2shp s PHE 29 CO 0.33 -0.43 0.03 -0.48 -1.34 0.00 0.00 175.22 173.33 2shp s LEU 30 N -1.91 2.16 -0.04 -1.99 0.05 -0.56 -1.07 118.68 115.33 2shp s LEU 30 Ca -0.07 -0.78 0.03 0.00 0.05 0.00 0.00 54.13 53.36 2shp s LEU 30 Cb -0.02 0.39 -0.03 0.00 -2.05 0.00 0.00 46.19 44.48 2shp s LEU 30 CO -0.02 -0.56 -0.12 0.00 -0.55 0.00 0.00 176.35 175.11 2shp s ALA 31 N -3.29 2.79 -0.00 1.48 0.00 0.23 -0.82 121.76 122.14 2shp s ALA 31 Ca 0.01 -0.98 -0.05 0.00 0.00 0.00 0.00 51.96 50.94 2shp s ALA 31 Cb 0.03 -1.04 -0.00 0.00 0.00 0.00 0.00 23.12 22.11 2shp s ALA 31 CO -0.08 0.57 0.10 -0.98 0.00 0.00 0.00 175.76 175.37 2shp s ARG 32 N -0.91 0.39 0.05 0.00 1.70 -0.38 -0.62 118.95 119.19 2shp s ARG 32 Ca 0.13 -0.36 -0.31 0.00 -0.47 0.00 0.00 55.73 54.72 2shp s ARG 32 Cb -0.11 0.16 -0.06 0.00 -0.57 0.00 0.00 34.95 34.37 2shp s ARG 32 CO 0.02 -0.09 1.29 -1.25 -1.08 0.00 0.00 175.30 174.20 2shp s PRO 33 N -1.18 4.36 0.46 3.89 0.04 -1.26 -0.30 135.00 141.01 2shp s PRO 33 Ca -0.13 1.88 -0.20 0.00 0.04 0.00 0.00 61.00 62.59 2shp s PRO 33 Cb -0.07 -3.40 -0.10 0.00 0.04 0.00 0.00 34.50 30.97 2shp s PRO 33 CO 0.01 -0.40 0.99 -1.54 0.04 0.00 0.00 177.00 176.10 2shp s SER 34 N 1.31 6.65 -0.44 6.66 1.04 0.04 -4.81 113.70 124.15 2shp s SER 34 Ca 0.61 1.78 0.04 0.00 0.48 0.00 0.00 55.95 58.86 2shp s SER 34 Cb -0.31 -2.55 0.44 0.00 0.10 0.00 0.00 66.02 63.70 2shp s SER 34 CO 0.28 -0.56 1.39 1.17 0.98 0.00 0.00 173.24 176.50 2shp n LYS 35 N -0.86 3.34 0.08 4.02 0.00 -1.26 -4.03 118.16 119.45 2shp n LYS 35 Ca 0.08 -4.04 0.12 0.00 0.00 0.00 0.00 58.31 54.47 2shp n LYS 35 Cb 0.53 -2.27 0.12 0.00 0.00 0.00 0.00 35.03 33.41 2shp n LYS 35 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.40 178.06 2shp h SER 36 N 2.31 0.00 0.00 3.14 4.64 -1.94 -3.49 113.55 118.20 2shp h SER 36 Ca 0.41 -0.14 0.00 0.00 -0.47 0.00 0.00 61.79 61.59 2shp h SER 36 Cb 1.14 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.23 2shp h SER 36 CO 0.99 0.07 0.00 -3.20 -0.87 0.00 0.00 176.83 173.82 2shp n ASN 37 N -2.32 0.00 -4.76 4.97 2.85 -1.26 -5.13 115.26 109.61 2shp n ASN 37 Ca 0.02 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.10 2shp n ASN 37 Cb 0.48 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.45 2shp n ASN 37 CO 0.00 0.00 0.00 -2.84 -2.11 0.00 0.00 177.26 172.31 2shp s PRO 38 N -0.49 4.58 0.00 1.20 0.02 -1.26 -3.33 135.00 135.72 2shp s PRO 38 Ca 0.00 1.60 0.00 0.00 0.02 0.00 0.00 61.00 62.62 2shp s PRO 38 Cb 0.00 -3.02 0.00 0.00 0.02 0.00 0.00 34.50 31.50 2shp s PRO 38 CO 0.00 0.22 0.00 0.41 -0.33 0.00 0.00 177.00 177.30 2shp n GLY 39 N 0.99 3.05 3.76 0.52 0.00 -1.26 -5.06 105.19 107.20 2shp n GLY 39 Ca 0.00 0.00 -0.39 0.00 0.00 0.00 0.00 46.02 45.64 2shp n GLY 39 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2shp s ASP 40 N 0.24 6.96 0.32 1.61 1.01 -1.21 -3.54 116.67 122.06 2shp s ASP 40 Ca 0.00 1.15 0.07 0.00 0.71 0.00 0.00 52.55 54.47 2shp s ASP 40 Cb 0.00 -2.36 -0.02 0.00 1.01 0.00 0.00 42.92 41.55 2shp s ASP 40 CO 0.00 0.10 0.38 -0.76 0.21 0.00 0.00 175.17 175.10 2shp s LEU 41 N -0.15 3.88 -0.07 1.23 2.01 0.46 -0.78 118.68 125.25 2shp s LEU 41 Ca 0.31 -0.27 0.02 0.00 0.01 0.00 0.00 54.13 54.21 2shp s LEU 41 Cb -0.18 -2.56 0.01 0.00 0.01 0.00 0.00 46.19 43.47 2shp s LEU 41 CO 0.17 -0.34 -0.13 -0.89 1.01 0.00 0.00 176.35 176.16 2shp s THR 42 N -2.19 1.23 -0.48 5.49 2.01 0.59 -1.23 115.64 121.06 2shp s THR 42 Ca 0.42 -0.54 -0.18 0.00 0.31 0.00 0.00 61.69 61.70 2shp s THR 42 Cb -0.08 -1.11 0.05 0.00 0.01 0.00 0.00 72.50 71.37 2shp s THR 42 CO 0.29 0.38 0.53 -0.22 -0.69 0.00 0.00 174.62 174.91 2shp s LEU 43 N 0.62 5.11 -0.30 4.42 2.96 0.38 -1.25 118.68 130.64 2shp s LEU 43 Ca -0.15 -0.97 -0.15 0.00 -0.22 0.00 0.00 54.13 52.64 2shp s LEU 43 Cb -0.16 -2.37 -0.03 0.00 0.50 0.00 0.00 46.19 44.13 2shp s LEU 43 CO 0.04 -0.77 0.37 -0.44 -1.32 0.00 0.00 176.35 174.23 2shp s SER 44 N 2.50 6.22 -0.01 3.68 0.01 -0.00 -1.01 113.70 125.09 2shp s SER 44 Ca 0.12 0.11 0.07 0.00 1.31 0.00 0.00 55.95 57.55 2shp s SER 44 Cb -0.20 -2.21 -0.02 0.00 0.21 0.00 0.00 66.02 63.81 2shp s SER 44 CO 0.11 -0.24 -0.22 -0.69 0.41 0.00 0.00 173.24 172.61 2shp s VAL 45 N 2.06 1.70 -0.17 3.43 1.01 0.14 -1.49 120.40 127.08 2shp s VAL 45 Ca 0.14 -0.93 -0.14 0.00 0.00 0.00 0.00 61.98 61.05 2shp s VAL 45 Cb -0.16 -1.41 -0.05 0.00 0.00 0.00 0.00 36.38 34.76 2shp s VAL 45 CO 0.11 0.47 0.29 -0.60 0.00 0.00 0.00 175.10 175.36 2shp s ARG 46 N -0.53 4.24 -0.11 2.72 3.52 -0.08 -0.23 118.95 128.49 2shp s ARG 46 Ca 0.08 0.07 -0.10 0.00 -0.13 0.00 0.00 55.73 55.65 2shp s ARG 46 Cb -0.08 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2shp s ARG 46 CO -0.01 0.21 0.28 -0.98 -0.81 0.00 0.00 175.30 174.00 2shp s ARG 47 N 0.55 0.33 -1.49 5.12 1.04 0.06 -0.49 118.95 124.08 2shp s ARG 47 Ca 0.16 0.40 -0.03 0.00 -1.04 0.00 0.00 55.73 55.22 2shp s ARG 47 Cb -0.13 0.16 0.03 0.00 -2.04 0.00 0.00 34.95 32.97 2shp s ARG 47 CO 0.04 -0.04 0.35 0.09 -0.04 0.00 0.00 175.30 175.70 2shp n ASN 48 N 2.94 -0.35 0.00 -2.89 3.02 -1.26 -1.51 115.26 115.20 2shp n ASN 48 Ca -0.13 -1.09 0.00 0.00 -0.03 0.00 0.00 54.58 53.33 2shp n ASN 48 Cb 0.58 -2.59 0.00 0.00 -0.61 0.00 0.00 39.78 37.16 2shp n ASN 48 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2shp n GLY 49 N -2.06 0.18 3.51 7.41 0.00 -1.26 -4.94 105.19 108.03 2shp n GLY 49 Ca -0.26 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.52 2shp n GLY 49 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2shp s ALA 50 N -1.50 2.83 -0.18 4.61 0.00 -0.57 -5.03 121.76 121.91 2shp s ALA 50 Ca 0.00 -1.79 -0.06 0.00 0.00 0.00 0.00 51.96 50.10 2shp s ALA 50 Cb 0.00 -0.40 -0.04 0.00 0.00 0.00 0.00 23.12 22.69 2shp s ALA 50 CO 0.00 0.30 0.03 0.08 0.00 0.00 0.00 175.76 176.17 2shp s VAL 51 N -2.37 4.48 0.08 0.00 1.01 -1.26 -0.76 120.40 121.58 2shp s VAL 51 Ca 0.29 -0.14 0.05 0.00 0.00 0.00 0.00 61.98 62.18 2shp s VAL 51 Cb -0.06 -3.01 -0.04 0.00 0.00 0.00 0.00 36.38 33.27 2shp s VAL 51 CO 0.16 0.46 -0.03 0.28 0.00 0.00 0.00 175.10 175.97 2shp s THR 52 N 0.48 3.85 -0.17 3.92 -1.32 0.68 -4.95 115.64 118.13 2shp s THR 52 Ca 0.01 -1.00 0.01 0.00 -1.21 0.00 0.00 61.69 59.50 2shp s THR 52 Cb -0.13 -2.80 0.01 0.00 -1.51 0.00 0.00 72.50 68.07 2shp s THR 52 CO 0.01 0.17 -0.19 -1.00 -2.21 0.00 0.00 174.62 171.40 2shp s HIS 53 N -1.24 2.76 -0.17 9.09 3.76 -1.26 -0.69 115.29 127.54 2shp s HIS 53 Ca 0.23 -1.43 -0.05 0.00 -0.15 0.00 0.00 55.06 53.66 2shp s HIS 53 Cb -0.11 -1.90 -0.03 0.00 1.11 0.00 0.00 32.58 31.64 2shp s HIS 53 CO 0.16 -0.69 0.00 0.42 -0.85 0.00 0.00 174.74 173.77 2shp s ILE 54 N 1.12 4.20 0.22 0.60 1.01 -0.18 -4.95 121.20 123.22 2shp s ILE 54 Ca 0.00 -0.24 -0.30 0.00 0.00 0.00 0.00 60.65 60.11 2shp s ILE 54 Cb -0.14 -2.87 -0.09 0.00 0.01 0.00 0.00 42.46 39.38 2shp s ILE 54 CO -0.08 0.48 0.96 -0.75 0.00 0.00 0.00 174.94 175.55 2shp s LYS 55 N 0.43 4.81 -0.20 2.79 2.47 -1.26 -0.47 119.74 128.31 2shp s LYS 55 Ca -0.01 1.51 -0.00 0.00 -1.56 0.00 0.00 55.97 55.91 2shp s LYS 55 Cb -0.14 -3.29 0.05 0.00 -1.46 0.00 0.00 37.83 33.00 2shp s LYS 55 CO 0.02 0.44 -0.04 0.42 0.16 0.00 0.00 175.35 176.35 2shp s ILE 56 N -0.98 1.22 -0.02 5.43 1.01 -0.36 -0.84 121.20 126.66 2shp s ILE 56 Ca 0.42 -0.90 -0.08 0.00 0.00 0.00 0.00 60.65 60.09 2shp s ILE 56 Cb -0.26 -1.49 -0.05 0.00 0.01 0.00 0.00 42.46 40.67 2shp s ILE 56 CO 0.32 -0.03 0.27 -1.10 0.00 0.00 0.00 174.94 174.41 2shp s GLN 57 N 1.55 3.62 -0.15 2.79 -0.21 -0.73 -0.40 119.66 126.13 2shp s GLN 57 Ca -0.03 0.02 -0.02 0.00 0.02 0.00 0.00 55.36 55.35 2shp s GLN 57 Cb -0.17 -3.13 0.05 0.00 1.00 0.00 0.00 33.01 30.75 2shp s GLN 57 CO -0.07 0.69 0.03 1.21 -2.12 0.00 0.00 175.29 175.02 2shp s ASN 58 N -1.41 2.36 0.00 5.90 3.84 -1.23 0.03 114.94 124.43 2shp s ASN 58 Ca 0.24 -0.52 0.21 0.00 0.21 0.00 0.00 52.86 53.00 2shp s ASN 58 Cb -0.14 -0.51 0.24 0.00 -0.55 0.00 0.00 41.25 40.30 2shp s ASN 58 CO 0.12 -0.27 1.23 0.35 -2.79 0.00 0.00 177.10 175.75 2shp n THR 59 N 5.11 0.18 0.00 -5.21 -2.24 -1.26 -4.75 114.28 106.10 2shp n THR 59 Ca -0.08 -0.59 0.00 0.00 -2.27 0.00 0.00 64.05 61.11 2shp n THR 59 Cb 0.48 1.28 0.00 0.00 -2.10 0.00 0.00 70.33 69.99 2shp n THR 59 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 2shp n GLY 60 N 1.25 0.98 0.10 3.38 0.00 -1.26 -4.50 105.19 105.13 2shp n GLY 60 Ca 0.14 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 2shp n GLY 60 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2shp n ASP 61 N 0.00 1.04 -3.64 1.61 8.00 -1.26 -4.11 116.55 118.19 2shp n ASP 61 Ca 0.00 -0.04 0.02 0.00 0.71 0.00 0.00 54.79 55.48 2shp n ASP 61 Cb 0.00 0.55 -0.00 0.00 -0.02 0.00 0.00 41.12 41.65 2shp n ASP 61 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2shp s TYR 62 N -2.44 -0.02 -0.18 1.24 -0.85 -1.26 -4.41 117.35 109.41 2shp s TYR 62 Ca -0.16 -0.06 -0.25 0.00 -0.52 0.00 0.00 57.07 56.08 2shp s TYR 62 Cb 0.06 0.54 -0.01 0.00 0.38 0.00 0.00 41.96 42.93 2shp s TYR 62 CO 0.68 -0.22 0.83 0.71 -1.52 0.00 0.00 175.55 176.03 2shp s TYR 63 N -2.28 3.40 -0.48 -3.49 1.51 0.03 -4.31 117.35 111.73 2shp s TYR 63 Ca 0.17 1.24 -0.05 0.00 -1.01 0.00 0.00 57.07 57.41 2shp s TYR 63 Cb 0.05 -3.02 0.13 0.00 -0.11 0.00 0.00 41.96 39.00 2shp s TYR 63 CO -0.04 -0.27 0.31 0.34 -1.11 0.00 0.00 175.55 174.79 2shp s ASP 64 N 1.19 5.46 -0.09 2.29 -1.08 0.10 -0.58 116.67 123.96 2shp s ASP 64 Ca 0.38 -2.16 -0.30 0.00 -0.52 0.00 0.00 52.55 49.95 2shp s ASP 64 Cb -0.16 -1.91 -0.03 0.00 -1.46 0.00 0.00 42.92 39.36 2shp s ASP 64 CO 0.11 -0.57 1.27 -0.22 0.52 0.00 0.00 175.17 176.28 2shp s LEU 65 N 0.98 4.25 0.06 -1.34 1.98 -1.16 -1.78 118.68 121.66 2shp s LEU 65 Ca 0.09 1.82 -0.30 0.00 -2.89 0.00 0.00 54.13 52.85 2shp s LEU 65 Cb -0.23 -3.55 -0.09 0.00 0.66 0.00 0.00 46.19 42.98 2shp s LEU 65 CO -0.03 -0.68 1.88 -0.47 -1.89 0.00 0.00 176.35 175.15 2shp s TYR 66 N 2.81 1.69 0.00 5.38 6.14 -0.02 -1.22 117.35 132.13 2shp s TYR 66 Ca 0.57 -0.22 0.00 0.00 0.64 0.00 0.00 57.07 58.06 2shp s TYR 66 Cb -0.25 -4.18 0.00 0.00 0.42 0.00 0.00 41.96 37.95 2shp s TYR 66 CO 0.20 -5.10 0.00 0.41 0.64 0.00 0.00 175.55 171.70 2shp n GLY 67 N 4.37 0.46 0.00 8.97 0.00 -1.26 -4.82 105.19 112.91 2shp n GLY 67 Ca 0.19 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.21 2shp n GLY 67 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2shp n GLY 68 N -2.02 6.16 4.01 -0.02 0.00 -0.35 -4.55 105.19 108.42 2shp n GLY 68 Ca 0.00 -1.64 -0.20 0.00 0.00 0.00 0.00 46.02 44.18 2shp n GLY 68 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 2shp s GLU 69 N 1.13 2.34 -0.07 1.61 2.02 -1.26 -4.68 118.70 119.79 2shp s GLU 69 Ca 0.00 -1.27 -0.10 0.00 0.02 0.00 0.00 54.97 53.62 2shp s GLU 69 Cb 0.00 -2.58 -0.05 0.00 0.10 0.00 0.00 34.13 31.60 2shp s GLU 69 CO 0.00 -0.81 0.25 0.15 0.02 0.00 0.00 175.26 174.86 2shp s LYS 70 N -4.71 3.65 0.09 1.61 1.02 -1.26 -2.99 119.74 117.15 2shp s LYS 70 Ca 0.60 0.09 0.04 0.00 0.02 0.00 0.00 55.97 56.72 2shp s LYS 70 Cb -0.08 -3.21 -0.03 0.00 -0.52 0.00 0.00 37.83 33.99 2shp s LYS 70 CO 0.39 0.73 -0.11 -0.06 -0.92 0.00 0.00 175.35 175.38 2shp s PHE 71 N -1.01 1.05 0.12 3.18 0.40 0.25 -4.30 117.98 117.68 2shp s PHE 71 Ca 0.18 -0.60 -0.06 0.00 -0.60 0.00 0.00 56.93 55.85 2shp s PHE 71 Cb -0.14 -0.58 -0.11 0.00 0.51 0.00 0.00 43.02 42.70 2shp s PHE 71 CO 0.08 0.00 1.29 0.00 0.70 0.00 0.00 175.22 177.29 2shp h ALA 72 N 3.79 0.34 -2.43 5.36 0.00 -1.87 0.14 119.26 124.58 2shp h ALA 72 Ca -0.38 -0.70 -0.16 0.00 0.00 0.00 0.00 54.91 53.68 2shp h ALA 72 Cb 1.19 -0.01 -0.15 0.00 0.00 0.00 0.00 17.79 18.83 2shp h ALA 72 CO 0.49 0.79 -0.59 0.95 0.00 0.00 0.00 179.25 180.90 2shp s THR 73 N -3.30 0.12 0.22 0.00 -4.23 -1.26 -4.17 115.64 103.02 2shp s THR 73 Ca -0.06 -1.77 -0.04 0.00 -1.18 0.00 0.00 61.69 58.63 2shp s THR 73 Cb 0.09 -1.89 0.06 0.00 1.34 0.00 0.00 72.50 72.10 2shp s THR 73 CO 0.87 -0.54 1.66 0.25 -0.54 0.00 0.00 174.62 176.33 2shp h LEU 74 N 2.86 0.82 -0.51 4.79 6.46 -1.98 -1.38 115.31 126.37 2shp h LEU 74 Ca -0.34 -0.26 -0.01 0.00 -0.12 0.00 0.00 57.88 57.14 2shp h LEU 74 Cb 1.19 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.88 2shp h LEU 74 CO 0.58 0.97 0.26 0.00 -0.62 0.00 0.00 178.44 179.63 2shp h ALA 75 N 1.10 0.65 -0.27 1.25 0.00 -1.93 -0.80 119.26 119.28 2shp h ALA 75 Ca 0.12 -0.11 -0.07 0.00 0.00 0.00 0.00 54.91 54.85 2shp h ALA 75 Cb 0.64 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 18.22 2shp h ALA 75 CO 0.04 0.19 -0.15 0.93 0.00 0.00 0.00 179.25 180.27 2shp h GLU 76 N 0.68 0.46 0.50 0.00 5.08 -1.90 0.80 114.58 120.20 2shp h GLU 76 Ca 0.18 -0.13 -0.02 0.00 -1.00 0.00 0.00 59.36 58.38 2shp h GLU 76 Cb 0.08 -0.05 0.00 0.00 0.50 0.00 0.00 28.75 29.29 2shp h GLU 76 CO -0.03 0.60 -0.24 1.25 -1.00 0.00 0.00 179.01 179.59 2shp h LEU 77 N 0.42 -0.57 -0.60 1.33 6.46 -0.90 -2.19 115.31 119.27 2shp h LEU 77 Ca 0.08 -0.04 0.04 0.00 -0.12 0.00 0.00 57.88 57.83 2shp h LEU 77 Cb 0.51 0.15 -0.04 0.00 -0.73 0.00 0.00 40.66 40.54 2shp h LEU 77 CO 0.03 -0.30 0.35 0.58 -0.62 0.00 0.00 178.44 178.48 2shp h VAL 78 N -0.81 1.04 -0.88 1.05 2.07 -0.99 -2.25 116.25 115.48 2shp h VAL 78 Ca -0.07 -0.23 0.03 0.00 0.82 0.00 0.00 66.70 67.24 2shp h VAL 78 Cb 0.57 0.29 -0.05 0.00 -1.52 0.00 0.00 31.29 30.59 2shp h VAL 78 CO 0.11 0.12 0.57 -0.61 0.02 0.00 0.00 177.57 177.79 2shp h GLN 79 N 0.68 1.09 0.44 1.57 4.15 -0.88 -0.53 115.11 121.64 2shp h GLN 79 Ca 0.25 -0.07 -0.02 0.00 0.77 0.00 0.00 58.65 59.59 2shp h GLN 79 Cb 0.07 -0.25 -0.01 0.00 0.21 0.00 0.00 27.48 27.51 2shp h GLN 79 CO -0.12 0.72 -0.27 -0.92 -1.93 0.00 0.00 178.83 176.30 2shp h TYR 80 N 1.12 -0.72 0.00 3.99 3.20 -0.98 -2.65 116.97 120.93 2shp h TYR 80 Ca 0.34 -0.01 -0.02 0.00 3.14 0.00 0.00 58.73 62.18 2shp h TYR 80 Cb -0.03 0.26 -0.00 0.00 1.54 0.00 0.00 36.73 38.50 2shp h TYR 80 CO -0.02 -0.42 -0.09 1.88 -1.64 0.00 0.00 178.16 177.87 2shp h TYR 81 N -0.68 0.00 0.00 -3.82 0.05 -1.19 -1.25 116.97 110.08 2shp h TYR 81 Ca -0.05 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.73 2shp h TYR 81 Cb 0.56 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.30 2shp h TYR 81 CO -0.10 0.09 0.00 0.52 -1.05 0.00 0.00 178.16 177.63 2shp h MET 82 N 0.00 0.00 -0.18 4.88 2.86 -0.94 -3.06 114.93 118.48 2shp h MET 82 Ca -0.00 0.00 0.00 0.00 -2.06 0.00 0.00 59.70 57.64 2shp h MET 82 Cb 0.68 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.34 2shp h MET 82 CO 0.01 0.00 0.00 0.39 1.06 0.00 0.00 176.91 178.37 2shp n GLU 83 N -2.61 2.75 -3.06 1.72 1.02 -0.56 -4.75 120.64 115.15 2shp n GLU 83 Ca 0.03 -2.05 -0.17 0.00 -0.02 0.00 0.00 57.16 54.95 2shp n GLU 83 Cb 0.34 -1.29 -0.01 0.00 -0.02 0.00 0.00 31.44 30.45 2shp n GLU 83 CO 0.00 0.00 0.00 0.72 1.18 0.00 0.00 177.13 179.03 2shp n HIS 84 N -0.18 -0.91 -1.98 -0.32 8.25 -0.68 -5.05 115.22 114.35 2shp n HIS 84 Ca 0.10 -3.22 -0.36 0.00 -0.26 0.00 0.00 57.72 53.98 2shp n HIS 84 Cb 0.46 0.18 0.04 0.00 1.12 0.00 0.00 29.99 31.79 2shp n HIS 84 CO 0.00 0.00 0.00 -1.01 0.64 0.00 0.00 176.34 175.97 2shp s HIS 85 N -1.24 2.37 0.00 4.41 3.76 -1.26 -2.77 115.29 120.56 2shp s HIS 85 Ca 0.35 1.50 0.00 0.00 -0.15 0.00 0.00 55.06 56.76 2shp s HIS 85 Cb 0.27 -3.53 0.00 0.00 1.11 0.00 0.00 32.58 30.44 2shp s HIS 85 CO -0.10 -2.32 0.00 0.41 -0.85 0.00 0.00 174.74 171.88 2shp n GLY 86 N 0.57 2.23 0.12 -2.22 0.00 -1.26 -4.87 105.19 99.76 2shp n GLY 86 Ca 0.13 0.00 -0.16 0.00 0.00 0.00 0.00 46.02 45.99 2shp n GLY 86 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2shp n GLN 87 N -2.00 0.71 -2.64 1.61 1.13 -1.11 -4.77 117.38 110.31 2shp n GLN 87 Ca 0.00 0.27 -0.43 0.00 -1.94 0.00 0.00 57.00 54.90 2shp n GLN 87 Cb 0.00 -1.74 -0.03 0.00 0.11 0.00 0.00 30.24 28.59 2shp n GLN 87 CO 0.00 0.00 0.00 -1.17 -1.44 0.00 0.00 177.06 174.45 2shp s LEU 88 N -6.67 3.67 0.08 1.08 2.96 -1.26 -4.98 118.68 113.56 2shp s LEU 88 Ca -0.16 0.26 0.04 0.00 -0.22 0.00 0.00 54.13 54.05 2shp s LEU 88 Cb 0.07 -3.35 -0.04 0.00 0.50 0.00 0.00 46.19 43.37 2shp s LEU 88 CO 0.79 -1.29 0.03 -0.54 -1.32 0.00 0.00 176.35 174.02 2shp s LYS 89 N 4.46 2.70 0.00 1.98 1.02 -1.26 0.96 119.74 129.61 2shp s LYS 89 Ca 0.44 -0.76 0.00 0.00 0.02 0.00 0.00 55.97 55.67 2shp s LYS 89 Cb -0.08 -2.63 0.00 0.00 -0.52 0.00 0.00 37.83 34.60 2shp s LYS 89 CO 0.29 0.56 0.00 -1.91 -0.92 0.00 0.00 175.35 173.37 2shp n GLU 90 N 0.62 0.00 -3.03 1.68 2.13 0.43 -4.80 120.64 117.67 2shp n GLU 90 Ca -0.10 0.00 -0.44 0.00 0.66 0.00 0.00 57.16 57.27 2shp n GLU 90 Cb 0.52 0.00 -0.01 0.00 0.27 0.00 0.00 31.44 32.22 2shp n GLU 90 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 2shp s LYS 91 N 0.74 3.90 0.18 5.31 1.02 -1.26 -4.76 119.74 124.87 2shp s LYS 91 Ca 0.00 -2.39 0.00 0.00 0.02 0.00 0.00 55.97 53.60 2shp s LYS 91 Cb 0.00 -4.88 0.00 0.00 -0.52 0.00 0.00 37.83 32.43 2shp s LYS 91 CO 0.00 -1.65 0.00 -1.71 -0.92 0.00 0.00 175.35 171.07 2shp n ASN 92 N 5.37 -8.58 0.00 2.83 5.15 -1.26 -4.38 115.26 114.39 2shp n ASN 92 Ca 0.28 1.45 0.00 0.00 -0.60 0.00 0.00 54.58 55.71 2shp n ASN 92 Cb 0.45 -4.96 0.00 0.00 -0.53 0.00 0.00 39.78 34.74 2shp n ASN 92 CO 0.00 0.00 0.00 0.61 1.40 0.00 0.00 177.26 179.27 2shp n GLY 93 N 1.95 0.90 3.51 8.20 0.00 -1.26 -4.87 105.19 113.62 2shp n GLY 93 Ca 0.00 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.70 2shp n GLY 93 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 2shp n ASP 94 N 1.80 -0.26 -4.63 1.61 9.92 -1.26 -4.70 116.55 119.02 2shp n ASP 94 Ca 0.00 -0.24 -0.43 0.00 -0.53 0.00 0.00 54.79 53.60 2shp n ASP 94 Cb 0.00 -0.83 -0.03 0.00 -0.64 0.00 0.00 41.12 39.62 2shp n ASP 94 CO 0.00 0.00 0.00 0.68 0.13 0.00 0.00 177.20 178.01 2shp s VAL 95 N 5.73 3.36 -0.14 2.53 -7.23 -1.26 0.16 120.40 123.56 2shp s VAL 95 Ca 1.30 0.40 -0.16 0.00 -1.81 0.00 0.00 61.98 61.72 2shp s VAL 95 Cb -0.98 -3.36 -0.04 0.00 0.56 0.00 0.00 36.38 32.56 2shp s VAL 95 CO 0.49 -0.14 0.37 -0.63 -0.31 0.00 0.00 175.10 174.88 2shp s ILE 96 N 5.71 5.25 -0.18 -0.62 1.01 0.27 -4.86 121.20 127.78 2shp s ILE 96 Ca 0.83 0.72 -0.06 0.00 0.00 0.00 0.00 60.65 62.14 2shp s ILE 96 Cb -0.32 -3.71 -0.03 0.00 0.01 0.00 0.00 42.46 38.41 2shp s ILE 96 CO 0.34 0.37 0.02 -1.61 0.00 0.00 0.00 174.94 174.07 2shp s GLU 97 N 0.45 3.81 -0.56 2.79 2.02 -1.26 -4.37 118.70 121.58 2shp s GLU 97 Ca 0.21 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.60 2shp s GLU 97 Cb -0.14 -3.12 0.13 0.00 0.10 0.00 0.00 34.13 31.10 2shp s GLU 97 CO 0.07 0.19 0.56 -0.51 0.02 0.00 0.00 175.26 175.59 2shp s LEU 98 N 0.55 6.03 -0.11 1.80 1.43 -1.26 -4.41 118.68 122.71 2shp s LEU 98 Ca 0.01 -1.74 -0.08 0.00 -1.03 0.00 0.00 54.13 51.29 2shp s LEU 98 Cb -0.13 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.80 2shp s LEU 98 CO 0.02 -0.91 -0.19 0.29 0.23 0.00 0.00 176.35 175.79 2shp n LYS 99 N 5.46 0.30 -3.92 1.70 5.02 0.35 -4.45 118.16 122.62 2shp n LYS 99 Ca -0.12 0.13 -0.30 0.00 -2.02 0.00 0.00 58.31 55.99 2shp n LYS 99 Cb 0.41 -1.01 -0.15 0.00 -0.02 0.00 0.00 35.03 34.26 2shp n LYS 99 CO 0.00 0.00 0.00 0.71 -0.52 0.00 0.00 177.40 177.59 2shp s TYR 100 N -2.34 2.44 -0.12 2.13 2.02 0.86 -4.99 117.35 117.36 2shp s TYR 100 Ca -0.19 -1.88 -0.29 0.00 -0.37 0.00 0.00 57.07 54.34 2shp s TYR 100 Cb 0.06 -1.74 -0.05 0.00 -0.40 0.00 0.00 41.96 39.83 2shp s TYR 100 CO 0.25 -0.80 1.75 -2.14 -1.57 0.00 0.00 175.55 173.04 2shp s PRO 101 N 1.38 3.92 -0.75 -1.71 0.02 -1.26 -1.83 135.00 134.76 2shp s PRO 101 Ca -0.02 2.05 -0.26 0.00 0.02 0.00 0.00 61.00 62.79 2shp s PRO 101 Cb -0.19 -4.08 0.04 0.00 0.02 0.00 0.00 34.50 30.29 2shp s PRO 101 CO -0.09 -1.16 1.25 -1.17 -0.33 0.00 0.00 177.00 175.50 2shp s LEU 102 N 5.00 3.33 0.70 -5.54 1.98 -0.23 -4.91 118.68 119.02 2shp s LEU 102 Ca 0.78 -0.59 -0.14 0.00 -2.89 0.00 0.00 54.13 51.30 2shp s LEU 102 Cb -0.32 -2.54 0.02 0.00 0.66 0.00 0.00 46.19 44.01 2shp s LEU 102 CO 0.32 -1.77 1.12 0.20 -1.89 0.00 0.00 176.35 174.33 2shp s ASN 103 N 3.81 4.75 -0.12 3.68 0.01 -1.26 -4.34 114.94 121.47 2shp s ASN 103 Ca 0.34 2.02 -0.09 0.00 -0.71 0.00 0.00 52.86 54.41 2shp s ASN 103 Cb -0.08 -2.55 -0.05 0.00 0.41 0.00 0.00 41.25 38.98 2shp s ASN 103 CO 0.13 -1.87 0.19 0.00 -1.51 0.00 0.00 177.10 174.04 2shp n ALA 105 N 2.44 2.79 -1.71 0.00 0.00 -1.26 -4.92 120.51 117.84 2shp n ALA 105 Ca -0.17 -0.27 -0.42 0.00 0.00 0.00 0.00 53.44 52.58 2shp n ALA 105 Cb 0.54 -1.10 -0.03 0.00 0.00 0.00 0.00 19.45 18.85 2shp n ALA 105 CO 0.00 0.00 0.00 0.34 0.00 0.00 0.00 177.50 177.84 2shp s ASP 106 N -4.77 6.40 0.00 0.00 -1.08 -1.26 -4.48 116.67 111.49 2shp s ASP 106 Ca 0.02 2.80 0.28 0.00 -0.52 0.00 0.00 52.55 55.13 2shp s ASP 106 Cb 0.12 -2.58 0.96 0.00 -1.46 0.00 0.00 42.92 39.96 2shp s ASP 106 CO 0.77 -1.00 1.69 -0.81 0.52 0.00 0.00 175.17 176.34 2shp n PRO 107 N 5.24 1.57 -0.29 4.34 -0.04 -1.26 -4.62 135.00 139.94 2shp n PRO 107 Ca 0.17 -0.94 0.04 0.00 -0.04 0.00 0.00 63.50 62.73 2shp n PRO 107 Cb 0.37 -1.48 0.18 0.00 -0.04 0.00 0.00 33.50 32.53 2shp n PRO 107 CO 0.00 0.00 0.00 1.79 -0.04 0.00 0.00 175.50 177.25 2shp h THR 108 N 2.28 0.88 -0.35 0.52 1.35 -1.94 0.33 112.91 115.98 2shp h THR 108 Ca 0.00 -0.26 0.00 0.00 -0.55 0.00 0.00 66.41 65.60 2shp h THR 108 Cb 0.52 0.04 0.00 0.00 -1.73 0.00 0.00 68.15 66.99 2shp h THR 108 CO 0.00 0.14 0.00 -1.20 -0.25 0.00 0.00 175.52 174.21 2shp n SER 109 N -4.76 3.74 -4.79 5.36 7.64 -1.26 -4.89 113.62 114.66 2shp n SER 109 Ca 0.14 -2.52 -0.38 0.00 1.01 0.00 0.00 58.87 57.12 2shp n SER 109 Cb 0.30 -0.59 -0.06 0.00 -1.01 0.00 0.00 64.21 62.86 2shp n SER 109 CO 0.00 0.00 0.00 -1.61 -3.01 0.00 0.00 175.04 170.42 2shp s GLU 110 N -2.01 4.40 0.43 1.43 0.41 0.11 -4.55 118.70 118.92 2shp s GLU 110 Ca 0.33 0.98 0.11 0.00 -0.41 0.00 0.00 54.97 55.97 2shp s GLU 110 Cb 0.24 -3.16 0.95 0.00 -1.78 0.00 0.00 34.13 30.38 2shp s GLU 110 CO 0.10 0.55 2.03 0.00 -0.49 0.00 0.00 175.26 177.45 2shp h ARG 111 N 4.15 0.26 0.00 1.61 3.08 -1.90 -2.58 114.38 118.99 2shp h ARG 111 Ca -0.48 -0.03 0.00 0.00 0.07 0.00 0.00 59.98 59.54 2shp h ARG 111 Cb 1.20 -0.05 0.00 0.00 0.08 0.00 0.00 29.97 31.21 2shp h ARG 111 CO 0.65 0.26 -0.61 0.11 -1.07 0.00 0.00 179.97 179.31 2shp h TRP 112 N 0.26 0.00 -3.35 3.04 5.08 -1.89 -3.41 115.95 115.67 2shp h TRP 112 Ca 0.06 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.48 2shp h TRP 112 Cb 0.13 0.00 -0.04 0.00 -3.00 0.00 0.00 29.16 26.25 2shp h TRP 112 CO 0.00 0.00 0.34 0.12 -1.28 0.00 0.00 178.44 177.62 2shp s PHE 113 N -3.28 3.57 -0.00 0.12 5.36 -0.97 -0.41 117.98 122.37 2shp s PHE 113 Ca 0.03 1.49 -0.00 0.00 -0.96 0.00 0.00 56.93 57.50 2shp s PHE 113 Cb 0.09 -3.03 -0.00 0.00 -0.34 0.00 0.00 43.02 39.73 2shp s PHE 113 CO 0.74 -0.06 -0.00 0.72 -1.46 0.00 0.00 175.22 175.16 2shp n HIS 114 N 4.28 0.00 -3.14 10.12 8.25 -0.20 -4.83 115.22 129.71 2shp n HIS 114 Ca 0.04 0.00 0.01 0.00 -0.26 0.00 0.00 57.72 57.51 2shp n HIS 114 Cb 0.50 -0.00 -0.00 0.00 1.12 0.00 0.00 29.99 31.61 2shp n HIS 114 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 2shp n GLY 115 N 3.30 -0.63 3.42 -1.41 0.00 -1.18 -4.77 105.19 103.91 2shp n GLY 115 Ca -0.00 -0.65 -0.26 0.00 0.00 0.00 0.00 46.02 45.12 2shp n GLY 115 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 173.32 170.93 2shp n HIS 116 N -1.38 -1.01 -3.99 1.61 1.44 -1.26 -4.59 115.22 106.05 2shp n HIS 116 Ca 0.00 0.41 -0.17 0.00 -2.01 0.00 0.00 57.72 55.95 2shp n HIS 116 Cb 0.02 -1.26 -0.16 0.00 0.12 0.00 0.00 29.99 28.71 2shp n HIS 116 CO 0.00 0.00 0.00 -1.17 -2.81 0.00 0.00 176.34 172.36 2shp s LEU 117 N -5.29 1.31 0.59 2.39 2.96 -1.26 -5.05 118.68 114.33 2shp s LEU 117 Ca 0.50 -0.05 -0.07 0.00 -0.22 0.00 0.00 54.13 54.29 2shp s LEU 117 Cb -0.29 -0.25 -0.00 0.00 0.50 0.00 0.00 46.19 46.15 2shp s LEU 117 CO 0.61 -0.07 0.91 -0.94 -1.32 0.00 0.00 176.35 175.54 2shp s SER 118 N 0.85 5.75 0.20 3.68 1.04 -1.26 -4.57 113.70 119.38 2shp s SER 118 Ca -0.09 0.86 -0.08 0.00 0.48 0.00 0.00 55.95 57.12 2shp s SER 118 Cb -0.12 -1.89 0.13 0.00 0.10 0.00 0.00 66.02 64.23 2shp s SER 118 CO -0.01 -1.00 1.71 1.23 0.98 0.00 0.00 173.24 176.15 2shp h GLY 119 N -0.17 1.20 2.00 7.32 0.00 -1.99 0.14 103.07 111.56 2shp h GLY 119 Ca -0.46 -0.77 -0.20 0.00 0.00 0.00 0.00 47.33 45.90 2shp h GLY 119 CO 0.61 0.72 -0.96 0.07 0.00 0.00 0.00 176.54 176.98 2shp h LYS 120 N 1.05 0.00 -0.17 4.80 2.10 -1.99 -2.25 116.57 120.11 2shp h LYS 120 Ca 0.21 -0.00 -0.19 0.00 -2.00 0.00 0.00 60.65 58.67 2shp h LYS 120 Cb 0.41 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.75 2shp h LYS 120 CO 0.01 0.96 -0.65 0.93 -2.00 0.00 0.00 179.45 178.71 2shp h GLU 121 N 0.00 0.74 -0.98 0.07 3.07 -1.90 -0.60 114.58 114.99 2shp h GLU 121 Ca -0.01 -0.57 0.10 0.00 -0.50 0.00 0.00 59.36 58.38 2shp h GLU 121 Cb 1.71 0.11 -0.07 0.00 -0.84 0.00 0.00 28.75 29.65 2shp h GLU 121 CO 0.13 1.18 0.63 0.00 -1.40 0.00 0.00 179.01 179.54 2shp h ALA 122 N 0.56 1.51 -0.47 3.43 0.00 -0.75 -0.50 119.26 123.03 2shp h ALA 122 Ca -0.03 -0.00 -0.08 0.00 0.00 0.00 0.00 54.91 54.80 2shp h ALA 122 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.81 2shp h ALA 122 CO 0.14 0.29 -0.01 0.93 0.00 0.00 0.00 179.25 180.60 2shp h GLU 123 N 1.03 0.84 0.26 0.00 5.08 -1.12 -0.40 114.58 120.28 2shp h GLU 123 Ca 0.45 -0.27 0.01 0.00 -1.00 0.00 0.00 59.36 58.55 2shp h GLU 123 Cb 0.36 -0.07 -0.04 0.00 0.50 0.00 0.00 28.75 29.50 2shp h GLU 123 CO -0.21 0.89 -0.45 0.87 -1.00 0.00 0.00 179.01 179.11 2shp h LYS 124 N 0.69 -0.76 -0.40 2.33 1.79 0.37 0.13 116.57 120.72 2shp h LYS 124 Ca 0.13 0.05 0.03 0.00 -2.18 0.00 0.00 60.65 58.68 2shp h LYS 124 Cb 0.52 0.17 -0.03 0.00 -1.58 0.00 0.00 32.23 31.31 2shp h LYS 124 CO 0.03 -0.50 0.20 -0.07 -1.08 0.00 0.00 179.45 178.02 2shp h LEU 125 N -0.78 0.29 -1.56 2.94 3.38 -1.09 0.68 115.31 119.17 2shp h LEU 125 Ca -0.01 0.02 -0.04 0.00 0.09 0.00 0.00 57.88 57.94 2shp h LEU 125 Cb 0.75 -0.03 -0.01 0.00 0.09 0.00 0.00 40.66 41.46 2shp h LEU 125 CO -0.17 0.21 -0.16 -0.07 0.09 0.00 0.00 178.44 178.33 2shp h LEU 126 N 0.40 0.07 0.00 1.67 3.38 -0.97 0.11 115.31 119.98 2shp h LEU 126 Ca 0.17 -0.01 -0.23 0.00 0.09 0.00 0.00 57.88 57.90 2shp h LEU 126 Cb 0.08 -0.02 -0.03 0.00 0.09 0.00 0.00 40.66 40.77 2shp h LEU 126 CO -0.12 0.25 -1.12 0.74 0.09 0.00 0.00 178.44 178.28 2shp h THR 127 N 0.08 1.57 0.15 0.22 2.02 0.90 -1.96 112.91 115.88 2shp h THR 127 Ca 0.01 -3.30 -0.01 0.00 0.77 0.00 0.00 66.41 63.89 2shp h THR 127 Cb 0.34 2.78 0.00 0.00 -1.74 0.00 0.00 68.15 69.53 2shp h THR 127 CO 0.02 0.90 -0.07 -0.33 0.37 0.00 0.00 175.52 176.41 2shp h GLU 128 N 0.00 -0.19 0.00 6.66 5.08 0.11 -3.40 114.58 122.84 2shp h GLU 128 Ca -0.06 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.31 2shp h GLU 128 Cb 1.82 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.11 2shp h GLU 128 CO 0.12 0.22 -1.18 1.63 -1.00 0.00 0.00 179.01 178.80 2shp n LYS 129 N -4.89 1.25 -1.82 2.33 5.02 0.31 -5.07 118.16 115.29 2shp n LYS 129 Ca -0.07 -0.07 -0.30 0.00 -2.02 0.00 0.00 58.31 55.86 2shp n LYS 129 Cb 0.25 -1.16 0.06 0.00 -0.02 0.00 0.00 35.03 34.15 2shp n LYS 129 CO 0.00 0.00 0.00 0.20 -0.52 0.00 0.00 177.40 177.08 2shp s GLY 130 N -2.81 1.63 0.30 0.72 0.00 -0.74 -4.88 107.32 101.54 2shp s GLY 130 Ca -0.02 -0.33 0.06 0.00 0.00 0.00 0.00 44.72 44.43 2shp s GLY 130 CO 0.41 0.06 0.21 0.28 0.00 0.00 0.00 173.10 174.06 2shp n LYS 131 N -3.11 0.42 -1.64 2.90 5.02 -1.26 -4.86 118.16 115.62 2shp n LYS 131 Ca 0.07 -2.91 -0.49 0.00 -2.02 0.00 0.00 58.31 52.96 2shp n LYS 131 Cb 0.57 2.17 -0.05 0.00 -0.02 0.00 0.00 35.03 37.70 2shp n LYS 131 CO 0.00 0.00 0.00 1.58 -0.52 0.00 0.00 177.40 178.46 2shp n HIS 132 N -0.61 1.99 -0.02 2.13 -0.00 -1.26 -1.06 115.22 116.39 2shp n HIS 132 Ca 0.04 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.15 2shp n HIS 132 Cb 0.52 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 28.04 2shp n HIS 132 CO 0.00 0.00 0.00 0.41 -0.00 0.00 0.00 176.34 176.75 2shp n GLY 133 N 3.19 1.65 3.75 1.57 0.00 0.77 -4.85 105.19 111.27 2shp n GLY 133 Ca 0.18 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.79 2shp n GLY 133 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 2shp s SER 134 N -3.12 6.76 0.28 1.61 0.01 -0.22 -0.63 113.70 118.39 2shp s SER 134 Ca 0.00 2.59 -0.01 0.00 1.31 0.00 0.00 55.95 59.84 2shp s SER 134 Cb 0.00 -2.63 -0.02 0.00 0.21 0.00 0.00 66.02 63.58 2shp s SER 134 CO 0.00 -0.61 0.32 0.72 0.41 0.00 0.00 173.24 174.08 2shp s PHE 135 N -0.26 1.17 -0.00 2.43 -0.71 -0.74 -0.89 117.98 118.98 2shp s PHE 135 Ca 0.56 -1.33 -0.28 0.00 -1.04 0.00 0.00 56.93 54.84 2shp s PHE 135 Cb -0.40 -0.35 0.10 0.00 -1.21 0.00 0.00 43.02 41.16 2shp s PHE 135 CO 0.44 -0.89 0.83 -0.48 -1.34 0.00 0.00 175.22 173.78 2shp s LEU 136 N -3.21 -0.43 -0.14 -1.99 0.05 -0.78 -0.73 118.68 111.45 2shp s LEU 136 Ca 0.35 0.13 0.02 0.00 0.05 0.00 0.00 54.13 54.68 2shp s LEU 136 Cb 0.03 2.16 0.01 0.00 -2.05 0.00 0.00 46.19 46.33 2shp s LEU 136 CO 0.18 -0.64 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.43 2shp s VAL 137 N -2.74 2.01 0.27 1.48 1.01 0.45 -1.13 120.40 121.75 2shp s VAL 137 Ca 0.02 -0.95 0.09 0.00 0.00 0.00 0.00 61.98 61.13 2shp s VAL 137 Cb -0.01 -1.78 -0.05 0.00 0.00 0.00 0.00 36.38 34.54 2shp s VAL 137 CO -0.06 0.54 -0.13 0.00 0.00 0.00 0.00 175.10 175.45 2shp s ARG 138 N 0.82 1.58 0.35 2.72 1.70 0.09 -1.03 118.95 125.19 2shp s ARG 138 Ca -0.07 -1.76 -0.26 0.00 -0.47 0.00 0.00 55.73 53.17 2shp s ARG 138 Cb -0.15 -1.42 -0.09 0.00 -0.57 0.00 0.00 34.95 32.71 2shp s ARG 138 CO -0.02 0.18 1.06 -1.21 -1.08 0.00 0.00 175.30 174.23 2shp s GLU 139 N -3.62 4.36 -0.21 3.89 2.02 -1.26 -0.18 118.70 123.69 2shp s GLU 139 Ca 0.28 1.60 -0.28 0.00 0.02 0.00 0.00 54.97 56.59 2shp s GLU 139 Cb -0.00 -2.79 0.00 0.00 0.10 0.00 0.00 34.13 31.44 2shp s GLU 139 CO 0.12 0.01 0.99 0.45 0.02 0.00 0.00 175.26 176.86 2shp s SER 140 N -1.33 7.07 0.21 -0.19 0.15 -0.00 -4.61 113.70 115.00 2shp s SER 140 Ca 0.53 1.34 0.14 0.00 0.70 0.00 0.00 55.95 58.65 2shp s SER 140 Cb -0.25 -2.52 -0.03 0.00 -1.71 0.00 0.00 66.02 61.51 2shp s SER 140 CO 0.32 -0.60 1.30 1.56 1.20 0.00 0.00 173.24 177.01 2shp h GLN 141 N 7.43 0.00 0.00 5.44 4.20 -1.89 -3.37 115.11 126.92 2shp h GLN 141 Ca -0.22 0.00 0.00 0.00 0.06 0.00 0.00 58.65 58.49 2shp h GLN 141 Cb 1.08 0.00 0.00 0.00 0.30 0.00 0.00 27.48 28.86 2shp h GLN 141 CO 0.94 0.56 0.00 0.45 -0.67 0.00 0.00 178.83 180.11 2shp n SER 142 N -3.19 0.00 -4.50 1.46 2.88 -1.26 -4.72 113.62 104.29 2shp n SER 142 Ca -0.01 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.10 2shp n SER 142 Cb 0.80 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.19 2shp n SER 142 CO 0.00 0.00 0.00 -1.00 -1.23 0.00 0.00 175.04 172.81 2shp s HIS 143 N 0.00 3.05 -0.28 0.66 3.76 -1.26 -4.99 115.29 116.23 2shp s HIS 143 Ca 0.00 -0.18 -0.29 0.00 -0.15 0.00 0.00 55.06 54.44 2shp s HIS 143 Cb 0.00 -3.41 -0.01 0.00 1.11 0.00 0.00 32.58 30.26 2shp s HIS 143 CO 0.00 -0.93 1.55 -1.25 -0.85 0.00 0.00 174.74 173.26 2shp s PRO 144 N 2.81 3.72 0.00 8.40 0.04 -1.26 -1.96 135.00 146.76 2shp s PRO 144 Ca 0.21 1.45 0.00 0.00 0.04 0.00 0.00 61.00 62.70 2shp s PRO 144 Cb -0.15 -4.03 0.00 0.00 0.04 0.00 0.00 34.50 30.36 2shp s PRO 144 CO 0.17 -1.38 0.00 0.41 0.04 0.00 0.00 177.00 176.24 2shp n GLY 145 N 4.76 0.94 3.76 0.56 0.00 -1.26 -5.10 105.19 108.86 2shp n GLY 145 Ca 0.18 0.00 -0.29 0.00 0.00 0.00 0.00 46.02 45.91 2shp n GLY 145 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2shp s ASP 146 N -0.71 3.55 0.26 1.61 1.11 -0.83 -4.60 116.67 117.06 2shp s ASP 146 Ca 0.00 1.13 0.04 0.00 0.18 0.00 0.00 52.55 53.89 2shp s ASP 146 Cb 0.00 -1.77 -0.05 0.00 1.07 0.00 0.00 42.92 42.17 2shp s ASP 146 CO 0.00 -2.54 0.01 -0.36 1.18 0.00 0.00 175.17 173.46 2shp s PHE 147 N -3.16 1.68 -0.03 4.23 0.40 0.12 -0.82 117.98 120.40 2shp s PHE 147 Ca 0.63 -0.93 0.02 0.00 -0.60 0.00 0.00 56.93 56.04 2shp s PHE 147 Cb -0.16 -1.00 0.01 0.00 0.51 0.00 0.00 43.02 42.39 2shp s PHE 147 CO 0.55 -0.03 -0.06 0.08 0.70 0.00 0.00 175.22 176.46 2shp s VAL 148 N -3.39 0.59 -0.39 -0.44 1.01 0.74 -0.18 120.40 118.34 2shp s VAL 148 Ca 0.31 -0.21 -0.14 0.00 0.00 0.00 0.00 61.98 61.94 2shp s VAL 148 Cb 0.06 -0.57 0.01 0.00 0.00 0.00 0.00 36.38 35.88 2shp s VAL 148 CO 0.11 0.21 0.28 -0.22 0.00 0.00 0.00 175.10 175.48 2shp s LEU 149 N 0.52 4.95 -0.19 3.92 2.96 -0.51 -0.73 118.68 129.61 2shp s LEU 149 Ca -0.07 -0.81 -0.09 0.00 -0.22 0.00 0.00 54.13 52.94 2shp s LEU 149 Cb -0.11 -2.14 -0.05 0.00 0.50 0.00 0.00 46.19 44.39 2shp s LEU 149 CO 0.00 -0.40 0.11 -0.44 -1.32 0.00 0.00 176.35 174.30 2shp s SER 150 N 1.68 6.04 -0.03 3.68 0.01 -0.29 -0.38 113.70 124.40 2shp s SER 150 Ca 0.05 0.21 0.03 0.00 1.31 0.00 0.00 55.95 57.54 2shp s SER 150 Cb -0.19 -2.04 0.00 0.00 0.21 0.00 0.00 66.02 64.01 2shp s SER 150 CO 0.10 0.20 -0.11 -0.69 0.41 0.00 0.00 173.24 173.16 2shp s VAL 151 N 0.21 0.92 -0.29 3.43 1.01 0.42 -1.86 120.40 124.23 2shp s VAL 151 Ca 0.07 -0.42 -0.21 0.00 0.00 0.00 0.00 61.98 61.42 2shp s VAL 151 Cb -0.11 -0.82 -0.01 0.00 0.00 0.00 0.00 36.38 35.44 2shp s VAL 151 CO -0.01 0.28 0.68 -0.60 0.00 0.00 0.00 175.10 175.46 2shp s ARG 152 N 0.24 3.97 -0.11 2.72 3.52 -0.07 -0.82 118.95 128.39 2shp s ARG 152 Ca -0.05 0.45 -0.01 0.00 -0.13 0.00 0.00 55.73 56.00 2shp s ARG 152 Cb -0.10 -3.71 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 2shp s ARG 152 CO 0.01 -0.57 -0.07 0.99 -0.81 0.00 0.00 175.30 174.85 2shp s THR 153 N 2.70 3.65 0.13 4.11 2.01 0.02 -0.16 115.64 128.09 2shp s THR 153 Ca 0.28 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.77 2shp s THR 153 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.84 2shp s THR 153 CO 0.11 0.55 0.24 0.61 -0.69 0.00 0.00 174.62 175.44 2shp n GLY 154 N 2.88 2.04 0.86 4.40 0.00 -1.25 -1.36 105.19 112.76 2shp n GLY 154 Ca -0.18 -1.22 0.06 0.00 0.00 0.00 0.00 46.02 44.68 2shp n GLY 154 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 2shp n ASP 155 N -1.45 -2.83 0.00 1.61 2.03 0.28 -4.75 116.55 111.44 2shp n ASP 155 Ca -0.02 0.54 0.00 0.00 0.52 0.00 0.00 54.79 55.83 2shp n ASP 155 Cb 0.20 -2.77 0.00 0.00 -0.72 0.00 0.00 41.12 37.83 2shp n ASP 155 CO 0.00 0.00 0.00 -0.46 -1.92 0.00 0.00 177.20 174.82 2shp n ASN 161 N -3.45 0.00 -4.57 1.67 0.23 -1.26 -4.38 115.26 103.50 2shp n ASN 161 Ca -0.03 0.00 -0.32 0.00 -0.53 0.00 0.00 54.58 53.70 2shp n ASN 161 Cb 0.25 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.90 2shp n ASN 161 CO 0.00 0.00 0.00 -0.62 -0.93 0.00 0.00 177.26 175.71 2shp s ASP 162 N 0.00 5.62 -0.75 0.53 2.15 -1.26 -4.88 116.67 118.09 2shp s ASP 162 Ca 0.00 -1.21 -0.16 0.00 0.43 0.00 0.00 52.55 51.61 2shp s ASP 162 Cb 0.00 -2.57 -0.19 0.00 -0.30 0.00 0.00 42.92 39.86 2shp s ASP 162 CO 0.00 -2.35 1.98 0.61 -0.17 0.00 0.00 175.17 175.24 2shp n GLY 163 N 6.54 -0.29 0.00 2.66 0.00 -1.26 -4.78 105.19 108.06 2shp n GLY 163 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.53 2shp n GLY 163 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 2shp n LYS 164 N 6.80 0.00 0.00 1.61 5.02 -1.26 0.10 118.16 130.43 2shp n LYS 164 Ca 0.42 0.00 0.00 0.00 -2.02 0.00 0.00 58.31 56.71 2shp n LYS 164 Cb 0.37 0.00 0.00 0.00 -0.02 0.00 0.00 35.03 35.38 2shp n LYS 164 CO 0.00 0.00 0.00 0.43 -0.52 0.00 0.00 177.40 177.31 2shp n SER 165 N -0.92 0.00 -3.83 4.39 7.64 -1.26 -3.95 113.62 115.69 2shp n SER 165 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 2shp n SER 165 Cb 0.00 0.00 -0.09 0.00 -1.01 0.00 0.00 64.21 63.11 2shp n SER 165 CO 0.00 0.00 0.00 -0.75 -3.01 0.00 0.00 175.04 171.28 2shp s LYS 166 N 0.00 0.60 -0.06 1.43 2.20 -0.46 -5.05 119.74 118.40 2shp s LYS 166 Ca 0.00 -0.41 0.05 0.00 -0.36 0.00 0.00 55.97 55.25 2shp s LYS 166 Cb 0.00 0.25 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2shp s LYS 166 CO 0.00 -0.16 -0.21 0.08 -0.36 0.00 0.00 175.35 174.70 2shp s VAL 167 N -1.70 1.79 -0.01 4.02 1.01 -1.26 -0.80 120.40 123.45 2shp s VAL 167 Ca -0.12 -0.91 0.06 0.00 0.00 0.00 0.00 61.98 61.02 2shp s VAL 167 Cb -0.05 -1.53 -0.03 0.00 0.00 0.00 0.00 36.38 34.77 2shp s VAL 167 CO 0.01 0.50 -0.20 -0.89 0.00 0.00 0.00 175.10 174.53 2shp s THR 168 N 0.03 2.62 -0.16 3.92 2.01 0.00 -4.93 115.64 119.13 2shp s THR 168 Ca -0.07 -1.00 -0.02 0.00 0.31 0.00 0.00 61.69 60.92 2shp s THR 168 Cb -0.14 -2.01 -0.01 0.00 0.01 0.00 0.00 72.50 70.35 2shp s THR 168 CO 0.04 0.52 -0.10 -1.00 -0.69 0.00 0.00 174.62 173.39 2shp s HIS 169 N -0.74 2.88 -0.29 4.92 3.76 -1.26 -0.44 115.29 124.12 2shp s HIS 169 Ca 0.12 -0.69 -0.05 0.00 -0.15 0.00 0.00 55.06 54.29 2shp s HIS 169 Cb -0.10 -1.93 0.02 0.00 1.11 0.00 0.00 32.58 31.68 2shp s HIS 169 CO 0.01 -0.28 0.04 0.08 -0.85 0.00 0.00 174.74 173.74 2shp s VAL 170 N 0.66 3.57 0.21 -0.90 1.01 0.48 -4.96 120.40 120.46 2shp s VAL 170 Ca -0.05 -0.89 -0.32 0.00 0.00 0.00 0.00 61.98 60.72 2shp s VAL 170 Cb -0.15 -2.87 -0.14 0.00 0.00 0.00 0.00 36.38 33.22 2shp s VAL 170 CO 0.02 0.07 1.42 0.23 0.00 0.00 0.00 175.10 176.84 2shp n MET 171 N 4.79 1.92 -4.01 2.72 2.81 -1.26 -1.42 117.12 122.66 2shp n MET 171 Ca -0.15 0.69 -0.34 0.00 -1.81 0.00 0.00 57.70 56.09 2shp n MET 171 Cb 0.47 -2.35 -0.15 0.00 -0.71 0.00 0.00 33.22 30.48 2shp n MET 171 CO 0.00 0.00 0.00 0.42 1.51 0.00 0.00 175.97 177.90 2shp s ILE 172 N 0.19 2.61 0.15 2.02 1.01 0.74 -4.48 121.20 123.44 2shp s ILE 172 Ca 0.72 -1.07 -0.23 0.00 0.00 0.00 0.00 60.65 60.08 2shp s ILE 172 Cb -0.69 -2.30 -0.08 0.00 0.01 0.00 0.00 42.46 39.40 2shp s ILE 172 CO 0.47 0.26 0.70 -0.60 0.00 0.00 0.00 174.94 175.77 2shp s ARG 173 N 1.29 4.41 -0.31 2.79 6.06 0.38 -0.70 118.95 132.88 2shp s ARG 173 Ca 0.00 0.98 0.01 0.00 -2.50 0.00 0.00 55.73 54.22 2shp s ARG 173 Cb -0.16 -3.20 0.07 0.00 0.06 0.00 0.00 34.95 31.72 2shp s ARG 173 CO -0.06 0.57 -0.01 0.00 -2.50 0.00 0.00 175.30 173.30 2shp s GLN 175 N 1.12 2.06 -1.58 0.00 -0.21 -0.24 -4.75 119.66 116.06 2shp s GLN 175 Ca -0.02 -0.64 -0.03 0.00 0.02 0.00 0.00 55.36 54.69 2shp s GLN 175 Cb -0.20 -1.71 0.03 0.00 1.00 0.00 0.00 33.01 32.13 2shp s GLN 175 CO -0.04 0.20 0.09 0.39 -2.12 0.00 0.00 175.29 173.81 2shp n GLU 176 N 3.33 -1.02 -2.40 2.91 1.02 -1.26 -0.81 120.64 122.41 2shp n GLU 176 Ca -0.19 0.11 -0.17 0.00 -0.02 0.00 0.00 57.16 56.88 2shp n GLU 176 Cb 0.53 -3.75 -0.01 0.00 -0.02 0.00 0.00 31.44 28.18 2shp n GLU 176 CO 0.00 0.00 0.00 -0.11 1.18 0.00 0.00 177.13 178.20 2shp n LEU 177 N -4.52 -1.62 -4.30 -4.62 7.94 -1.26 -4.98 117.00 103.63 2shp n LEU 177 Ca -0.28 0.08 -0.18 0.00 -1.11 0.00 0.00 56.01 54.52 2shp n LEU 177 Cb 0.67 -2.62 -0.10 0.00 0.53 0.00 0.00 43.42 41.90 2shp n LEU 177 CO 0.86 -0.19 -0.44 -0.54 -1.11 0.00 0.00 177.39 175.96 2shp s LYS 178 N -5.02 1.21 -0.00 1.96 1.02 0.01 -4.81 119.74 114.11 2shp s LYS 178 Ca 0.00 -1.46 0.08 0.00 0.02 0.00 0.00 55.97 54.61 2shp s LYS 178 Cb 0.00 -1.01 -0.02 0.00 -0.52 0.00 0.00 37.83 36.28 2shp s LYS 178 CO 0.00 0.17 -0.25 0.71 -0.92 0.00 0.00 175.35 175.06 2shp s TYR 179 N -2.74 2.22 0.15 3.18 1.51 0.77 -1.08 117.35 121.36 2shp s TYR 179 Ca 0.18 -0.42 -0.10 0.00 -1.01 0.00 0.00 57.07 55.72 2shp s TYR 179 Cb -0.02 -1.40 -0.00 0.00 -0.11 0.00 0.00 41.96 40.43 2shp s TYR 179 CO 0.05 0.00 0.29 0.16 -1.11 0.00 0.00 175.55 174.94 2shp s ASP 180 N -0.76 0.02 -0.42 2.29 -4.77 -0.81 -0.42 116.67 111.81 2shp s ASP 180 Ca 0.10 -0.78 0.05 0.00 -3.30 0.00 0.00 52.55 48.62 2shp s ASP 180 Cb -0.10 0.43 0.68 0.00 -1.09 0.00 0.00 42.92 42.85 2shp s ASP 180 CO -0.00 -0.88 1.88 1.33 0.70 0.00 0.00 175.17 178.20 2shp n VAL 181 N -0.20 3.13 0.00 2.11 0.24 -1.26 -0.47 118.33 121.88 2shp n VAL 181 Ca -0.09 -1.89 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 2shp n VAL 181 Cb 0.63 -0.44 0.00 0.00 -1.47 0.00 0.00 33.84 32.56 2shp n VAL 181 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 2shp n GLY 182 N -0.94 2.07 3.62 7.63 0.00 -1.26 -4.88 105.19 111.43 2shp n GLY 182 Ca 0.55 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.60 2shp n GLY 182 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 2shp s GLY 183 N -2.34 -0.44 0.00 -0.02 0.00 -1.26 -5.15 107.32 98.10 2shp s GLY 183 Ca 0.00 0.79 0.00 0.00 0.00 0.00 0.00 44.72 45.51 2shp s GLY 183 CO 0.00 0.87 0.00 0.61 0.00 0.00 0.00 173.10 174.58 2shp n GLY 184 N -0.55 0.57 3.78 0.20 0.00 -1.26 -4.91 105.19 103.02 2shp n GLY 184 Ca -0.08 -1.07 -0.36 0.00 0.00 0.00 0.00 46.02 44.50 2shp n GLY 184 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 2shp s GLU 185 N 0.00 4.15 -0.26 1.61 2.12 -1.26 -5.05 118.70 120.02 2shp s GLU 185 Ca 0.00 1.52 -0.04 0.00 0.36 0.00 0.00 54.97 56.81 2shp s GLU 185 Cb 0.00 -2.54 0.01 0.00 0.26 0.00 0.00 34.13 31.87 2shp s GLU 185 CO 0.00 -0.15 -0.02 1.03 -0.54 0.00 0.00 175.26 175.58 2shp s ARG 186 N -2.50 3.03 0.15 4.30 0.52 -1.26 -4.58 118.95 118.60 2shp s ARG 186 Ca 0.58 -0.87 -0.07 0.00 -0.52 0.00 0.00 55.73 54.86 2shp s ARG 186 Cb -0.22 -3.10 -0.06 0.00 0.52 0.00 0.00 34.95 32.09 2shp s ARG 186 CO 0.28 -0.37 0.41 -0.06 0.02 0.00 0.00 175.30 175.58 2shp s PHE 187 N 1.41 3.49 -0.61 -0.53 0.08 0.44 -4.80 117.98 117.46 2shp s PHE 187 Ca 0.02 0.66 0.25 0.00 0.12 0.00 0.00 56.93 57.98 2shp s PHE 187 Cb -0.16 -2.08 0.86 0.00 -0.57 0.00 0.00 43.02 41.07 2shp s PHE 187 CO -0.02 0.42 1.76 -0.44 -0.10 0.00 0.00 175.22 176.83 2shp h ASP 188 N 2.95 0.00 -5.03 1.36 5.19 -1.87 0.22 116.42 119.23 2shp h ASP 188 Ca -0.47 0.00 -0.11 0.00 -0.62 0.00 0.00 57.03 55.83 2shp h ASP 188 Cb 1.17 0.00 -0.18 0.00 0.18 0.00 0.00 39.33 40.50 2shp h ASP 188 CO 0.71 0.00 -0.31 -0.94 -3.12 0.00 0.00 179.24 175.57 2shp s SER 189 N -4.57 -0.10 0.25 6.45 1.04 -1.26 -4.84 113.70 110.68 2shp s SER 189 Ca 0.08 -0.14 -0.03 0.00 0.48 0.00 0.00 55.95 56.34 2shp s SER 189 Cb 0.11 0.31 0.42 0.00 0.10 0.00 0.00 66.02 66.96 2shp s SER 189 CO 0.53 -0.52 1.83 -0.07 0.98 0.00 0.00 173.24 175.99 2shp h LEU 190 N 3.59 0.79 -0.85 2.42 3.38 -1.88 -1.76 115.31 120.99 2shp h LEU 190 Ca -0.31 0.04 0.02 0.00 0.09 0.00 0.00 57.88 57.72 2shp h LEU 190 Cb 1.19 -0.12 -0.05 0.00 0.09 0.00 0.00 40.66 41.77 2shp h LEU 190 CO 0.44 0.45 0.56 0.74 0.09 0.00 0.00 178.44 180.72 2shp h THR 191 N 0.90 1.17 -0.57 0.22 2.02 -1.95 0.83 112.91 115.53 2shp h THR 191 Ca 0.42 -0.38 -0.08 0.00 0.77 0.00 0.00 66.41 67.14 2shp h THR 191 Cb 0.35 -0.03 -0.02 0.00 -1.74 0.00 0.00 68.15 66.70 2shp h THR 191 CO -0.23 0.20 0.05 0.44 0.37 0.00 0.00 175.52 176.35 2shp h ASP 192 N 1.11 0.94 -0.09 4.18 3.32 -1.79 0.17 116.42 124.26 2shp h ASP 192 Ca 0.33 -0.28 0.03 0.00 0.02 0.00 0.00 57.03 57.13 2shp h ASP 192 Cb -0.05 -0.25 -0.03 0.00 0.22 0.00 0.00 39.33 39.22 2shp h ASP 192 CO -0.10 0.99 -0.09 0.25 -1.72 0.00 0.00 179.24 178.57 2shp h LEU 193 N 0.86 -0.27 -0.45 1.55 6.46 -0.71 -0.27 115.31 122.49 2shp h LEU 193 Ca 0.17 0.05 -0.04 0.00 -0.12 0.00 0.00 57.88 57.94 2shp h LEU 193 Cb 0.47 0.13 -0.02 0.00 -0.73 0.00 0.00 40.66 40.51 2shp h LEU 193 CO 0.02 -0.12 0.13 0.58 -0.62 0.00 0.00 178.44 178.43 2shp h VAL 194 N -0.11 1.23 -0.84 1.05 2.07 -0.57 -1.70 116.25 117.37 2shp h VAL 194 Ca 0.06 -0.77 -0.01 0.00 0.82 0.00 0.00 66.70 66.80 2shp h VAL 194 Cb 0.20 0.88 -0.04 0.00 -1.52 0.00 0.00 31.29 30.81 2shp h VAL 194 CO -0.15 0.28 0.48 -0.33 0.02 0.00 0.00 177.57 177.86 2shp h GLU 195 N 0.60 1.17 -0.56 1.57 4.39 -0.42 0.27 114.58 121.59 2shp h GLU 195 Ca 0.14 -0.13 -0.05 0.00 0.34 0.00 0.00 59.36 59.67 2shp h GLU 195 Cb 0.29 -0.23 -0.02 0.00 -0.10 0.00 0.00 28.75 28.68 2shp h GLU 195 CO -0.00 0.84 0.17 1.25 -1.16 0.00 0.00 179.01 180.12 2shp h HIS 196 N 1.17 0.91 -0.01 4.33 2.76 -0.70 -2.07 115.15 121.54 2shp h HIS 196 Ca 0.30 -0.09 0.00 0.00 -2.20 0.00 0.00 60.37 58.38 2shp h HIS 196 Cb 0.00 -0.26 0.00 0.00 1.55 0.00 0.00 27.41 28.70 2shp h HIS 196 CO 0.00 0.76 -0.28 0.66 -1.30 0.00 0.00 177.93 177.78 2shp n TYR 197 N -4.44 0.00 -0.06 5.26 4.01 -0.67 -0.50 117.16 120.75 2shp n TYR 197 Ca 0.03 0.00 -0.12 0.00 -0.16 0.00 0.00 57.90 57.64 2shp n TYR 197 Cb 0.20 -0.16 0.00 0.00 -0.31 0.00 0.00 39.34 39.08 2shp n TYR 197 CO 0.00 0.00 0.00 0.87 -0.46 0.00 0.00 176.86 177.27 2shp h LYS 198 N 0.87 0.79 0.01 -0.72 1.57 -0.01 -3.18 116.57 115.90 2shp h LYS 198 Ca 0.00 -0.46 -0.27 0.00 -1.87 0.00 0.00 60.65 58.04 2shp h LYS 198 Cb 0.49 0.04 -0.04 0.00 0.08 0.00 0.00 32.23 32.79 2shp h LYS 198 CO 0.00 1.09 -1.53 0.87 -0.57 0.00 0.00 179.45 179.31 2shp h LYS 199 N 0.62 0.02 -2.71 3.15 1.57 -1.29 -3.41 116.57 114.52 2shp h LYS 199 Ca 0.03 -0.04 -0.61 0.00 -1.87 0.00 0.00 60.65 58.16 2shp h LYS 199 Cb 1.06 0.01 -0.42 0.00 0.08 0.00 0.00 32.23 32.97 2shp h LYS 199 CO 0.11 0.68 -0.61 0.09 -0.57 0.00 0.00 179.45 179.14 2shp n ASN 200 N -3.16 3.10 -4.68 0.86 4.13 0.34 -5.09 115.26 110.76 2shp n ASN 200 Ca -0.13 -3.25 -0.43 0.00 1.68 0.00 0.00 54.58 52.44 2shp n ASN 200 Cb 1.02 -0.72 -0.03 0.00 -1.54 0.00 0.00 39.78 38.51 2shp n ASN 200 CO 0.00 0.00 0.00 -2.65 0.28 0.00 0.00 177.26 174.89 2shp n PRO 201 N 1.57 2.69 -1.60 3.52 -0.02 -1.20 -4.49 135.00 135.48 2shp n PRO 201 Ca 0.24 0.98 -0.50 0.00 -2.02 0.00 0.00 63.50 62.20 2shp n PRO 201 Cb 0.38 -2.88 -0.05 0.00 -0.02 0.00 0.00 33.50 30.93 2shp n PRO 201 CO 0.00 0.00 0.00 -1.33 1.98 0.00 0.00 175.50 176.15 2shp n MET 202 N 6.18 1.29 -4.43 -0.52 2.81 -1.26 -4.76 117.12 116.43 2shp n MET 202 Ca 0.19 0.46 -0.34 0.00 -1.81 0.00 0.00 57.70 56.21 2shp n MET 202 Cb 0.37 -2.06 -0.12 0.00 -0.71 0.00 0.00 33.22 30.70 2shp n MET 202 CO 0.00 0.00 0.00 0.08 1.51 0.00 0.00 175.97 177.56 2shp s VAL 203 N 0.21 3.90 0.18 2.03 1.01 -1.26 -0.69 120.40 125.79 2shp s VAL 203 Ca 0.78 -0.36 -0.30 0.00 0.00 0.00 0.00 61.98 62.10 2shp s VAL 203 Cb -0.87 -2.69 -0.08 0.00 0.00 0.00 0.00 36.38 32.74 2shp s VAL 203 CO 0.48 0.51 1.18 -1.61 0.00 0.00 0.00 175.10 175.67 2shp s GLU 204 N 0.16 4.51 -0.87 2.72 2.02 0.74 -4.92 118.70 123.06 2shp s GLU 204 Ca -0.01 1.85 -0.24 0.00 0.02 0.00 0.00 54.97 56.58 2shp s GLU 204 Cb -0.14 -3.25 -0.18 0.00 0.10 0.00 0.00 34.13 30.67 2shp s GLU 204 CO 0.03 -0.06 2.28 -2.37 0.02 0.00 0.00 175.26 175.15 2shp n THR 205 N 2.49 0.00 0.00 3.63 5.66 -1.26 -0.21 114.28 124.59 2shp n THR 205 Ca 0.04 -0.36 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2shp n THR 205 Cb 0.45 -1.82 0.00 0.00 -1.55 0.00 0.00 70.33 67.41 2shp n THR 205 CO 0.00 0.00 0.00 -0.11 -3.05 0.00 0.00 175.07 171.91 2shp n LEU 206 N 17.96 0.00 0.00 1.09 -0.00 -1.26 -4.96 117.00 129.83 2shp n LEU 206 Ca 0.45 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.46 2shp n LEU 206 Cb 0.43 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.85 2shp n LEU 206 CO 0.59 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.59 2shp n GLY 207 N 0.00 1.20 3.70 -3.96 0.00 0.71 -5.10 105.19 101.74 2shp n GLY 207 Ca 0.00 -0.04 -0.43 0.00 0.00 0.00 0.00 46.02 45.55 2shp n GLY 207 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 2shp n THR 208 N 0.00 0.14 -3.32 2.61 -1.04 -1.25 -4.62 114.28 106.79 2shp n THR 208 Ca 0.00 -0.02 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2shp n THR 208 Cb 0.00 -1.98 -0.09 0.00 -1.82 0.00 0.00 70.33 66.45 2shp n THR 208 CO 0.00 0.00 0.00 -0.69 -0.64 0.00 0.00 175.07 173.74 2shp s VAL 209 N 1.74 5.08 -1.17 12.58 1.01 -1.26 -0.19 120.40 138.20 2shp s VAL 209 Ca 0.78 0.00 -0.18 0.00 0.00 0.00 0.00 61.98 62.58 2shp s VAL 209 Cb -0.52 -3.95 -0.04 0.00 0.00 0.00 0.00 36.38 31.87 2shp s VAL 209 CO 0.35 -0.26 2.04 0.18 0.00 0.00 0.00 175.10 177.41 2shp n LEU 210 N 5.59 5.31 -4.68 3.92 4.77 0.14 -4.94 117.00 127.11 2shp n LEU 210 Ca -0.07 -3.58 -0.42 0.00 -0.03 0.00 0.00 56.01 51.90 2shp n LEU 210 Cb 0.49 -1.48 -0.03 0.00 -2.33 0.00 0.00 43.42 40.07 2shp n LEU 210 CO 0.44 0.21 1.12 -1.10 -1.33 0.00 0.00 177.39 176.73 2shp s GLN 211 N 4.25 4.27 -0.98 3.23 -0.21 -1.26 -4.30 119.66 124.67 2shp s GLN 211 Ca 0.53 1.87 -0.16 0.00 0.02 0.00 0.00 55.36 57.63 2shp s GLN 211 Cb 0.12 -3.68 0.17 0.00 1.00 0.00 0.00 33.01 30.62 2shp s GLN 211 CO 0.02 -0.63 1.11 -0.51 -2.12 0.00 0.00 175.29 173.17 2shp s LEU 212 N 2.88 5.50 -0.14 2.90 1.43 -1.26 -4.11 118.68 125.88 2shp s LEU 212 Ca 0.62 -2.47 -0.12 0.00 -1.03 0.00 0.00 54.13 51.12 2shp s LEU 212 Cb -0.28 -2.35 -0.09 0.00 0.03 0.00 0.00 46.19 43.50 2shp s LEU 212 CO 0.23 -0.84 0.14 0.11 0.23 0.00 0.00 176.35 176.22 2shp h LYS 213 N 8.14 0.00 -3.60 1.70 1.57 -1.20 -3.45 116.57 119.73 2shp h LYS 213 Ca 0.18 0.00 -0.16 0.00 -1.87 0.00 0.00 60.65 58.80 2shp h LYS 213 Cb 0.99 0.00 -0.22 0.00 0.08 0.00 0.00 32.23 33.08 2shp h LYS 213 CO 1.05 0.38 -0.55 1.14 -0.57 0.00 0.00 179.45 180.90 2shp s GLN 214 N -2.02 0.39 0.72 3.15 0.00 -1.09 -5.01 119.66 115.79 2shp s GLN 214 Ca -0.13 -0.35 -0.14 0.00 -0.00 0.00 0.00 55.36 54.74 2shp s GLN 214 Cb 0.01 0.16 0.03 0.00 0.00 0.00 0.00 33.01 33.21 2shp s GLN 214 CO 0.30 -0.08 1.13 -2.14 0.00 0.00 0.00 175.29 174.50 2shp s PRO 215 N -1.15 2.39 0.13 9.60 0.02 -1.26 -1.78 135.00 142.94 2shp s PRO 215 Ca -0.12 1.46 -0.31 0.00 0.02 0.00 0.00 61.00 62.04 2shp s PRO 215 Cb -0.07 -1.89 -0.11 0.00 0.02 0.00 0.00 34.50 32.45 2shp s PRO 215 CO 0.01 -1.58 1.83 -1.17 -0.33 0.00 0.00 177.00 175.75 2shp s LEU 216 N -5.27 4.40 -0.09 -5.54 2.96 0.10 -4.67 118.68 110.56 2shp s LEU 216 Ca 0.68 2.78 -0.30 0.00 -0.22 0.00 0.00 54.13 57.07 2shp s LEU 216 Cb -0.22 -3.57 -0.04 0.00 0.50 0.00 0.00 46.19 42.86 2shp s LEU 216 CO 0.46 -1.01 1.48 0.21 -1.32 0.00 0.00 176.35 176.18 2shp s ASN 217 N 2.63 6.79 -0.02 3.68 3.84 -1.26 -4.86 114.94 125.74 2shp s ASN 217 Ca 0.81 2.02 0.03 0.00 0.21 0.00 0.00 52.86 55.93 2shp s ASN 217 Cb -0.47 -2.54 0.06 0.00 -0.55 0.00 0.00 41.25 37.76 2shp s ASN 217 CO 0.36 -0.85 1.04 0.35 -2.79 0.00 0.00 177.10 175.21 2shp n THR 218 N 5.37 1.14 0.00 -5.21 -2.24 -1.26 -4.75 114.28 107.33 2shp n THR 218 Ca 0.16 -1.19 0.00 0.00 -2.27 0.00 0.00 64.05 60.75 2shp n THR 218 Cb 0.44 0.39 0.00 0.00 -2.10 0.00 0.00 70.33 69.05 2shp n THR 218 CO 0.00 0.00 0.00 0.35 -0.57 0.00 0.00 175.07 174.85 2shp n THR 219 N -0.58 0.00 -1.97 4.28 -2.24 -1.26 -4.99 114.28 107.52 2shp n THR 219 Ca 0.03 0.00 -0.42 0.00 -2.27 0.00 0.00 64.05 61.39 2shp n THR 219 Cb 0.32 -0.33 -0.03 0.00 -2.10 0.00 0.00 70.33 68.19 2shp n THR 219 CO 0.00 0.00 0.00 -0.60 -0.57 0.00 0.00 175.07 173.90 2shp s ARG 220 N -1.98 4.22 0.36 -0.78 3.52 -1.26 -4.59 118.95 118.45 2shp s ARG 220 Ca 0.00 2.30 0.05 0.00 -0.13 0.00 0.00 55.73 57.95 2shp s ARG 220 Cb 0.00 -3.34 -0.07 0.00 -1.56 0.00 0.00 34.95 29.98 2shp s ARG 220 CO 0.00 -0.63 0.04 0.96 -0.81 0.00 0.00 175.30 174.86 2shp s ILE 221 N 1.73 1.52 -0.09 4.11 -4.36 -0.24 -4.98 121.20 118.90 2shp s ILE 221 Ca 0.71 -2.00 -0.29 0.00 -0.26 0.00 0.00 60.65 58.80 2shp s ILE 221 Cb -0.41 -2.87 -0.02 0.00 1.25 0.00 0.00 42.46 40.41 2shp s ILE 221 CO 0.31 0.00 0.98 0.21 0.24 0.00 0.00 174.94 176.69 2shp s ASN 222 N -3.58 7.25 0.23 4.36 2.47 -1.26 -1.12 114.94 123.29 2shp s ASN 222 Ca 0.36 1.53 -0.06 0.00 0.42 0.00 0.00 52.86 55.11 2shp s ASN 222 Cb 0.09 -2.55 0.40 0.00 -1.45 0.00 0.00 41.25 37.74 2shp s ASN 222 CO 0.16 -0.39 1.73 0.00 -3.72 0.00 0.00 177.10 174.88 2shp h ALA 223 N 7.04 0.97 -0.49 1.71 0.00 -0.91 0.19 119.26 127.76 2shp h ALA 223 Ca -0.33 0.11 0.14 0.00 0.00 0.00 0.00 54.91 54.83 2shp h ALA 223 Cb 1.16 0.08 -0.02 0.00 0.00 0.00 0.00 17.79 19.02 2shp h ALA 223 CO 0.83 -0.21 0.62 0.00 0.00 0.00 0.00 179.25 180.49 2shp h ALA 224 N 1.51 2.21 -0.50 0.00 0.00 -1.50 -0.82 119.26 120.16 2shp h ALA 224 Ca 0.38 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.27 2shp h ALA 224 Cb 0.55 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.37 2shp h ALA 224 CO -0.38 -0.87 0.00 0.39 0.00 0.00 0.00 179.25 178.39 2shp n GLU 225 N -3.48 2.56 -0.06 0.00 1.02 0.65 -4.62 120.64 116.70 2shp n GLU 225 Ca 0.10 -2.38 0.15 0.00 -0.02 0.00 0.00 57.16 55.01 2shp n GLU 225 Cb 0.80 -1.51 0.57 0.00 -0.02 0.00 0.00 31.44 31.28 2shp n GLU 225 CO 0.00 0.00 0.00 0.97 1.18 0.00 0.00 177.13 179.28 2shp h ILE 226 N 4.20 0.82 -0.79 -3.67 2.10 -1.09 0.75 117.51 119.84 2shp h ILE 226 Ca 0.00 -0.09 -0.04 0.00 1.08 0.00 0.00 64.86 65.81 2shp h ILE 226 Cb 0.96 0.54 -0.04 0.00 -1.09 0.00 0.00 36.82 37.19 2shp h ILE 226 CO 0.00 0.05 0.32 -0.08 -1.08 0.00 0.00 178.15 177.36 2shp h GLU 227 N 0.26 1.16 -0.33 2.19 4.81 -1.82 0.38 114.58 121.22 2shp h GLU 227 Ca 0.28 -0.20 -0.12 0.00 -0.13 0.00 0.00 59.36 59.19 2shp h GLU 227 Cb 0.75 -0.19 -0.01 0.00 0.63 0.00 0.00 28.75 29.93 2shp h GLU 227 CO -0.06 0.93 -0.26 1.03 -0.73 0.00 0.00 179.01 179.92 2shp h SER 228 N 1.14 0.81 -0.32 1.04 0.87 -1.22 -1.30 113.55 114.58 2shp h SER 228 Ca 0.26 -0.45 0.05 0.00 -1.23 0.00 0.00 61.79 60.43 2shp h SER 228 Cb 0.20 -0.23 -0.04 0.00 -0.44 0.00 0.00 62.40 61.89 2shp h SER 228 CO -0.02 1.08 0.05 -0.09 -0.53 0.00 0.00 176.83 177.32 2shp h ARG 229 N 0.54 0.15 -0.88 2.24 9.65 -0.95 -0.46 114.38 124.66 2shp h ARG 229 Ca 0.06 -0.01 -0.01 0.00 -1.10 0.00 0.00 59.98 58.92 2shp h ARG 229 Cb 0.82 -0.03 -0.04 0.00 -1.39 0.00 0.00 29.97 29.33 2shp h ARG 229 CO 0.07 0.10 0.50 0.28 2.80 0.00 0.00 179.97 183.72 2shp h VAL 230 N 0.16 1.25 -0.39 0.20 2.07 -0.07 -0.49 116.25 118.98 2shp h VAL 230 Ca 0.15 -0.60 0.02 0.00 0.82 0.00 0.00 66.70 67.09 2shp h VAL 230 Cb 0.17 0.04 -0.03 0.00 -1.52 0.00 0.00 31.29 29.96 2shp h VAL 230 CO -0.21 0.28 0.22 -0.09 0.02 0.00 0.00 177.57 177.79 2shp h ARG 231 N 1.23 0.43 -0.93 1.57 2.43 -0.68 0.21 114.38 118.63 2shp h ARG 231 Ca 0.31 -0.03 0.03 0.00 -0.81 0.00 0.00 59.98 59.49 2shp h ARG 231 Cb 0.00 -0.10 -0.05 0.00 -0.42 0.00 0.00 29.97 29.40 2shp h ARG 231 CO -0.05 0.28 0.61 0.93 -1.51 0.00 0.00 179.97 180.23 2shp h GLU 232 N 0.44 1.16 0.00 0.20 5.08 -0.61 -2.79 114.58 118.07 2shp h GLU 232 Ca 0.16 -0.07 -0.09 0.00 -1.00 0.00 0.00 59.36 58.36 2shp h GLU 232 Cb 0.03 -0.26 -0.01 0.00 0.50 0.00 0.00 28.75 29.00 2shp h GLU 232 CO -0.08 0.77 -0.53 -0.07 -1.00 0.00 0.00 179.01 178.10 2shp h LEU 233 N 1.20 0.00 -0.46 1.33 3.38 -0.40 -3.36 115.31 117.00 2shp h LEU 233 Ca 0.36 0.00 -0.17 0.00 0.09 0.00 0.00 57.88 58.16 2shp h LEU 233 Cb -0.04 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.70 2shp h LEU 233 CO -0.11 0.42 -0.74 0.28 0.09 0.00 0.00 178.44 178.38 2shp h SER 234 N 0.00 0.28 -1.98 -0.43 0.02 -0.32 0.29 113.55 111.41 2shp h SER 234 Ca -0.02 -0.19 -0.67 0.00 -0.84 0.00 0.00 61.79 60.07 2shp h SER 234 Cb 1.34 -0.08 -0.36 0.00 0.14 0.00 0.00 62.40 63.43 2shp h SER 234 CO 0.05 0.92 0.03 0.29 -1.14 0.00 0.00 176.83 176.98 2shp n LYS 235 N -3.77 3.62 0.00 3.45 4.01 -1.22 -4.95 118.16 119.31 2shp n LYS 235 Ca -0.03 -4.43 0.00 0.00 -0.51 0.00 0.00 58.31 53.34 2shp n LYS 235 Cb 0.71 -2.29 0.00 0.00 -0.51 0.00 0.00 35.03 32.94 2shp n LYS 235 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 2shp n GLY 246 N -0.35 0.08 0.37 0.72 0.00 0.94 -4.88 105.19 102.07 2shp n GLY 246 Ca 0.42 0.00 0.12 0.00 0.00 0.00 0.00 46.02 46.55 2shp n GLY 246 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 173.32 174.06 2shp h PHE 247 N 0.00 0.95 -0.68 1.61 0.04 -1.69 -2.73 116.94 114.44 2shp h PHE 247 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 2shp h PHE 247 Cb 0.00 -0.30 -0.03 0.00 2.20 0.00 0.00 35.95 37.82 2shp h PHE 247 CO 0.00 0.31 0.35 2.35 -0.60 0.00 0.00 178.31 180.72 2shp h TRP 248 N 0.77 0.96 -0.37 -0.55 7.01 -1.97 -1.93 115.95 119.87 2shp h TRP 248 Ca 0.51 -0.03 -0.04 0.00 2.11 0.00 0.00 58.89 61.43 2shp h TRP 248 Cb 0.77 -0.30 -0.01 0.00 -2.10 0.00 0.00 29.16 27.51 2shp h TRP 248 CO -0.00 0.70 0.06 0.93 -2.79 0.00 0.00 178.44 177.34 2shp h GLU 249 N 0.94 0.61 -0.04 2.65 3.07 -1.91 -1.47 114.58 118.43 2shp h GLU 249 Ca 0.24 -0.16 -0.07 0.00 -0.50 0.00 0.00 59.36 58.87 2shp h GLU 249 Cb 0.07 -0.07 -0.01 0.00 -0.84 0.00 0.00 28.75 27.90 2shp h GLU 249 CO -0.03 0.67 -0.30 1.49 -1.40 0.00 0.00 179.01 179.43 2shp h GLU 250 N 0.45 0.08 -0.14 2.33 4.81 -1.41 -1.93 114.58 118.77 2shp h GLU 250 Ca 0.11 -0.03 -0.05 0.00 -0.13 0.00 0.00 59.36 59.26 2shp h GLU 250 Cb 0.35 -0.01 -0.00 0.00 0.63 0.00 0.00 28.75 29.72 2shp h GLU 250 CO 0.01 0.37 -0.12 0.35 -0.73 0.00 0.00 179.01 178.89 2shp h PHE 251 N 0.07 0.39 -0.19 0.92 3.57 -1.13 -2.62 116.94 117.95 2shp h PHE 251 Ca 0.01 -0.11 -0.07 0.00 3.53 0.00 0.00 57.97 61.33 2shp h PHE 251 Cb 0.57 -0.08 -0.01 0.00 2.79 0.00 0.00 35.95 39.21 2shp h PHE 251 CO 0.00 0.71 -0.19 0.93 -2.23 0.00 0.00 178.31 177.53 2shp h GLU 252 N -0.04 0.33 -0.01 1.11 4.39 -1.09 0.12 114.58 119.39 2shp h GLU 252 Ca 0.03 -0.10 -0.11 0.00 0.34 0.00 0.00 59.36 59.51 2shp h GLU 252 Cb 0.63 -0.03 -0.02 0.00 -0.10 0.00 0.00 28.75 29.24 2shp h GLU 252 CO 0.03 0.52 -0.53 1.15 -1.16 0.00 0.00 179.01 179.02 2shp h THR 253 N 0.31 1.38 -0.17 1.13 2.02 -1.39 -1.67 112.91 114.52 2shp h THR 253 Ca 0.05 -1.81 -0.16 0.00 0.77 0.00 0.00 66.41 65.26 2shp h THR 253 Cb 0.52 1.96 0.00 0.00 -1.74 0.00 0.00 68.15 68.89 2shp h THR 253 CO 0.03 0.52 -0.53 0.25 0.37 0.00 0.00 175.52 176.17 2shp h LEU 254 N 0.03 0.75 -0.54 2.58 5.85 -1.00 -3.31 115.31 119.68 2shp h LEU 254 Ca -0.00 -0.59 0.05 0.00 0.84 0.00 0.00 57.88 58.17 2shp h LEU 254 Cb 0.94 -0.22 -0.05 0.00 0.37 0.00 0.00 40.66 41.71 2shp h LEU 254 CO 0.07 1.22 0.28 1.56 -0.34 0.00 0.00 178.44 181.23 2shp h GLN 255 N 0.33 0.53 -0.06 1.25 1.08 -0.50 -2.32 115.11 115.42 2shp h GLN 255 Ca -0.02 -0.03 0.02 0.00 -1.45 0.00 0.00 58.65 57.17 2shp h GLN 255 Cb 1.15 -0.12 -0.00 0.00 -0.05 0.00 0.00 27.48 28.46 2shp h GLN 255 CO 0.11 0.35 0.30 0.37 -0.95 0.00 0.00 178.83 179.01 2shp h GLN 256 N 0.54 0.00 -0.01 1.46 5.75 -1.39 0.31 115.11 121.77 2shp h GLN 256 Ca 0.24 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.74 2shp h GLN 256 Cb 0.14 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.69 2shp h GLN 256 CO -0.16 0.00 -0.06 1.04 -2.65 0.00 0.00 178.83 177.00 2shp n GLN 257 N -3.07 1.37 0.27 1.69 6.02 -0.87 -4.04 117.38 118.74 2shp n GLN 257 Ca -0.01 -0.73 0.17 0.00 -0.01 0.00 0.00 57.00 56.41 2shp n GLN 257 Cb 0.37 -1.48 0.61 0.00 1.02 0.00 0.00 30.24 30.76 2shp n GLN 257 CO 0.00 0.00 0.00 1.05 -1.01 0.00 0.00 177.06 177.10 2shp h GLU 258 N 1.79 0.00 -0.03 -1.09 4.11 -1.05 -2.59 114.58 115.73 2shp h GLU 258 Ca 0.00 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.44 2shp h GLU 258 Cb 0.45 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.70 2shp h GLU 258 CO 0.00 0.00 0.05 0.00 0.07 0.00 0.00 179.01 179.13 2shp n LYS 260 N -3.50 0.03 -0.60 0.00 5.02 -0.97 -3.99 118.16 114.16 2shp n LYS 260 Ca -0.02 0.16 0.02 0.00 -2.02 0.00 0.00 58.31 56.45 2shp n LYS 260 Cb 0.13 -1.55 0.21 0.00 -0.02 0.00 0.00 35.03 33.80 2shp n LYS 260 CO 0.00 0.00 0.00 1.28 -0.52 0.00 0.00 177.40 178.16 2shp n LEU 261 N -1.62 3.80 -3.22 -0.35 4.77 -0.01 -4.82 117.00 115.56 2shp n LEU 261 Ca 0.05 -3.45 -0.37 0.00 -0.03 0.00 0.00 56.01 52.21 2shp n LEU 261 Cb 0.26 -0.58 -0.03 0.00 -2.33 0.00 0.00 43.42 40.74 2shp n LEU 261 CO 0.21 1.01 2.87 0.18 -1.33 0.00 0.00 177.39 180.32 2shp n LEU 262 N -0.95 8.17 -4.82 2.23 4.77 -1.26 -4.94 117.00 120.21 2shp n LEU 262 Ca 0.27 -4.43 -0.30 0.00 -0.03 0.00 0.00 56.01 51.52 2shp n LEU 262 Cb 0.93 -1.47 0.08 0.00 -2.33 0.00 0.00 43.42 40.64 2shp n LEU 262 CO 0.15 2.03 0.72 -0.31 -1.33 0.00 0.00 177.39 178.65 2shp s TYR 263 N 0.83 2.91 0.31 -1.77 2.02 -1.26 -4.99 117.35 115.40 2shp s TYR 263 Ca 0.64 1.14 -0.28 0.00 -0.37 0.00 0.00 57.07 58.21 2shp s TYR 263 Cb 0.20 -3.11 -0.09 0.00 -0.40 0.00 0.00 41.96 38.56 2shp s TYR 263 CO -0.07 -1.67 1.05 -1.54 -1.57 0.00 0.00 175.55 171.75 2shp s SER 264 N -3.97 7.17 -0.39 2.29 1.04 -1.26 -4.93 113.70 113.65 2shp s SER 264 Ca 0.60 2.13 0.11 0.00 0.48 0.00 0.00 55.95 59.27 2shp s SER 264 Cb -0.14 -2.61 0.43 0.00 0.10 0.00 0.00 66.02 63.81 2shp s SER 264 CO 0.54 -0.20 1.03 0.54 0.98 0.00 0.00 173.24 176.13 2shp n ARG 265 N 0.81 2.43 0.09 4.02 1.74 -1.26 -1.09 116.66 123.40 2shp n ARG 265 Ca 0.01 -3.98 -0.13 0.00 -0.77 0.00 0.00 57.85 52.98 2shp n ARG 265 Cb 0.47 -1.82 -0.08 0.00 -1.02 0.00 0.00 32.46 30.01 2shp n ARG 265 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 2shp h LYS 266 N 2.77 -0.16 -0.80 5.56 6.56 -1.93 -3.11 116.57 125.45 2shp h LYS 266 Ca 0.13 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.83 2shp h LYS 266 Cb 1.02 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.64 2shp h LYS 266 CO 0.70 -0.03 0.44 0.93 -2.06 0.00 0.00 179.45 179.42 2shp h GLU 267 N -0.25 0.70 0.00 3.15 4.39 -1.93 0.14 114.58 120.78 2shp h GLU 267 Ca -0.02 -0.04 0.00 0.00 0.34 0.00 0.00 59.36 59.64 2shp h GLU 267 Cb 0.20 -0.16 0.00 0.00 -0.10 0.00 0.00 28.75 28.69 2shp h GLU 267 CO 0.03 0.46 0.00 0.78 -1.16 0.00 0.00 179.01 179.12 2shp h GLY 268 N 0.72 0.00 1.08 -3.84 0.00 -1.83 -2.04 103.07 97.16 2shp h GLY 268 Ca 0.40 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.73 2shp h GLY 268 CO -0.27 0.00 -0.64 -1.06 0.00 0.00 0.00 176.54 174.57 2shp n GLN 269 N -2.53 0.23 -1.79 4.80 6.02 0.46 -4.42 117.38 120.17 2shp n GLN 269 Ca 0.01 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.70 2shp n GLN 269 Cb 0.22 -1.64 0.06 0.00 1.02 0.00 0.00 30.24 29.90 2shp n GLN 269 CO 0.00 0.00 0.00 1.03 -1.01 0.00 0.00 177.06 177.08 2shp s ARG 270 N -3.14 2.65 0.20 -1.09 0.52 -0.77 -4.80 118.95 112.52 2shp s ARG 270 Ca 0.07 1.85 -0.12 0.00 -0.52 0.00 0.00 55.73 57.01 2shp s ARG 270 Cb 0.14 -1.88 0.14 0.00 0.52 0.00 0.00 34.95 33.87 2shp s ARG 270 CO 0.72 -1.47 1.85 0.37 0.02 0.00 0.00 175.30 176.79 2shp h GLN 271 N 0.46 0.79 0.00 3.54 5.75 -1.93 -0.76 115.11 122.97 2shp h GLN 271 Ca -0.50 -0.05 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2shp h GLN 271 Cb 1.30 -0.18 0.00 0.00 1.07 0.00 0.00 27.48 29.68 2shp h GLN 271 CO 0.53 0.53 0.00 0.93 -2.65 0.00 0.00 178.83 178.17 2shp h GLU 272 N 0.82 0.00 0.00 1.69 3.07 -1.94 -2.96 114.58 115.26 2shp h GLU 272 Ca 0.25 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.11 2shp h GLU 272 Cb -0.03 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 27.88 2shp h GLU 272 CO -0.08 0.00 -0.67 0.09 -1.40 0.00 0.00 179.01 176.94 2shp n ASN 273 N -2.71 0.68 -0.08 1.42 3.02 -0.36 -4.68 115.26 112.56 2shp n ASN 273 Ca -0.01 -0.79 -0.07 0.00 -0.03 0.00 0.00 54.58 53.68 2shp n ASN 273 Cb 0.16 1.02 -0.00 0.00 -0.61 0.00 0.00 39.78 40.35 2shp n ASN 273 CO 0.00 0.00 0.00 0.11 -2.62 0.00 0.00 177.26 174.75 2shp h LYS 274 N 0.00 -0.12 -0.10 3.52 1.57 -1.19 -1.26 116.57 119.00 2shp h LYS 274 Ca 0.00 0.01 0.00 0.00 -1.87 0.00 0.00 60.65 58.79 2shp h LYS 274 Cb 0.33 0.03 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2shp h LYS 274 CO 0.00 -0.08 0.00 0.27 -0.57 0.00 0.00 179.45 179.07 2shp n ASN 275 N -5.34 0.89 -0.29 0.86 6.94 -1.26 -2.50 115.26 114.56 2shp n ASN 275 Ca 0.00 -1.61 0.15 0.00 -0.02 0.00 0.00 54.58 53.10 2shp n ASN 275 Cb 0.25 -0.06 0.66 0.00 -2.36 0.00 0.00 39.78 38.27 2shp n ASN 275 CO 0.00 0.00 0.00 0.29 -1.03 0.00 0.00 177.26 176.52 2shp n LYS 276 N -0.18 1.36 -4.10 -3.83 5.02 -0.48 -4.83 118.16 111.12 2shp n LYS 276 Ca 0.14 -0.59 -0.35 0.00 -2.02 0.00 0.00 58.31 55.49 2shp n LYS 276 Cb 0.20 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.63 2shp n LYS 276 CO 0.00 0.00 0.00 -0.80 -0.52 0.00 0.00 177.40 176.08 2shp s ASN 277 N -2.04 5.54 0.23 4.39 0.01 -1.04 -4.52 114.94 117.50 2shp s ASN 277 Ca 0.40 0.11 -0.02 0.00 -0.71 0.00 0.00 52.86 52.64 2shp s ASN 277 Cb 0.21 -1.87 0.24 0.00 0.41 0.00 0.00 41.25 40.25 2shp s ASN 277 CO 0.36 0.23 1.64 -0.09 -1.51 0.00 0.00 177.10 177.73 2shp h ARG 278 N 6.26 0.66 -4.34 -0.60 2.43 -1.88 -3.39 114.38 113.52 2shp h ARG 278 Ca -0.40 -0.28 -0.57 0.00 -0.81 0.00 0.00 59.98 57.92 2shp h ARG 278 Cb 1.18 -0.03 -0.37 0.00 -0.42 0.00 0.00 29.97 30.33 2shp h ARG 278 CO 0.66 0.86 -0.80 0.71 -1.51 0.00 0.00 179.97 179.89 2shp s TYR 279 N -4.51 1.94 0.31 2.20 2.02 -1.26 -5.04 117.35 113.01 2shp s TYR 279 Ca -0.08 -1.21 0.11 0.00 -0.37 0.00 0.00 57.07 55.52 2shp s TYR 279 Cb 0.13 -1.43 0.99 0.00 -0.40 0.00 0.00 41.96 41.25 2shp s TYR 279 CO 0.82 -0.65 1.44 0.36 -1.57 0.00 0.00 175.55 175.95 2shp n LYS 280 N 4.82 -0.06 -0.16 -0.62 0.00 -1.26 -1.32 118.16 119.55 2shp n LYS 280 Ca -0.13 1.31 0.11 0.00 -0.00 0.00 0.00 58.31 59.60 2shp n LYS 280 Cb 0.48 -2.22 0.19 0.00 -0.00 0.00 0.00 35.03 33.47 2shp n LYS 280 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.40 177.49 2shp n ASN 281 N -5.19 3.28 -4.21 -5.58 3.02 -1.26 -4.74 115.26 100.58 2shp n ASN 281 Ca 0.29 -1.95 -0.41 0.00 -0.03 0.00 0.00 54.58 52.47 2shp n ASN 281 Cb 0.96 -0.21 -0.08 0.00 -0.61 0.00 0.00 39.78 39.84 2shp n ASN 281 CO 0.00 0.00 0.00 -0.63 -2.62 0.00 0.00 177.26 174.01 2shp s ILE 282 N -1.45 4.35 0.22 2.41 1.01 -0.44 -4.48 121.20 122.84 2shp s ILE 282 Ca 0.35 -2.01 0.11 0.00 0.00 0.00 0.00 60.65 59.09 2shp s ILE 282 Cb 0.21 -3.84 -0.05 0.00 0.01 0.00 0.00 42.46 38.79 2shp s ILE 282 CO 0.29 -0.82 -0.20 -0.76 0.00 0.00 0.00 174.94 173.45 2shp s LEU 283 N 1.05 2.51 0.26 2.97 1.43 -1.26 -4.68 118.68 120.96 2shp s LEU 283 Ca 0.08 -0.95 -0.29 0.00 -1.03 0.00 0.00 54.13 51.94 2shp s LEU 283 Cb -0.24 -1.00 -0.09 0.00 0.03 0.00 0.00 46.19 44.89 2shp s LEU 283 CO -0.02 0.02 0.94 -2.16 0.23 0.00 0.00 176.35 175.36 2shp s PRO 284 N -3.17 4.79 0.34 1.29 0.04 -1.26 -4.58 135.00 132.45 2shp s PRO 284 Ca 0.24 1.45 -0.29 0.00 0.04 0.00 0.00 61.00 62.44 2shp s PRO 284 Cb -0.05 -3.15 -0.11 0.00 0.04 0.00 0.00 34.50 31.22 2shp s PRO 284 CO 0.11 0.45 1.51 1.19 0.04 0.00 0.00 177.00 180.30 2shp n PHE 285 N 1.25 2.87 -0.36 0.56 3.72 -1.26 -4.58 117.46 119.65 2shp n PHE 285 Ca -0.01 0.38 0.02 0.00 -0.05 0.00 0.00 57.45 57.80 2shp n PHE 285 Cb 0.48 -2.55 0.18 0.00 -0.94 0.00 0.00 39.48 36.65 2shp n PHE 285 CO 0.00 0.00 0.00 -0.44 -0.05 0.00 0.00 176.76 176.27 2shp h ASP 286 N 3.62 1.04 1.12 4.37 3.32 -1.46 0.84 116.42 129.26 2shp h ASP 286 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 2shp h ASP 286 Cb 1.24 -0.22 0.00 0.00 0.22 0.00 0.00 39.33 40.57 2shp h ASP 286 CO 0.70 0.67 0.00 0.00 -1.72 0.00 0.00 179.24 178.89 2shp n HIS 287 N -4.49 0.87 -0.24 4.55 1.44 -1.26 -3.28 115.22 112.81 2shp n HIS 287 Ca 0.15 0.29 0.00 0.00 -2.01 0.00 0.00 57.72 56.15 2shp n HIS 287 Cb 0.17 -0.97 0.00 0.00 0.12 0.00 0.00 29.99 29.30 2shp n HIS 287 CO 0.00 0.00 0.00 0.25 -2.81 0.00 0.00 176.34 173.78 2shp n THR 288 N -2.25 0.00 -1.61 0.61 -2.24 -1.06 -5.08 114.28 102.65 2shp n THR 288 Ca 0.04 -0.37 -0.41 0.00 -2.27 0.00 0.00 64.05 61.04 2shp n THR 288 Cb 0.33 1.24 0.01 0.00 -2.10 0.00 0.00 70.33 69.82 2shp n THR 288 CO 0.00 0.00 0.00 -2.11 -0.57 0.00 0.00 175.07 172.39 2shp n ARG 289 N -0.05 1.34 -2.45 -0.78 1.85 0.26 -1.37 116.66 115.46 2shp n ARG 289 Ca 0.00 0.48 -0.43 0.00 -1.00 0.00 0.00 57.85 56.90 2shp n ARG 289 Cb 0.06 -2.06 -0.02 0.00 -1.05 0.00 0.00 32.46 29.39 2shp n ARG 289 CO 0.00 0.00 0.00 0.08 -0.01 0.00 0.00 177.63 177.70 2shp s VAL 290 N -1.29 4.31 -0.31 8.89 1.01 0.12 -4.72 120.40 128.41 2shp s VAL 290 Ca 0.64 1.57 -0.12 0.00 0.00 0.00 0.00 61.98 64.07 2shp s VAL 290 Cb -0.55 -4.06 -0.04 0.00 0.00 0.00 0.00 36.38 31.74 2shp s VAL 290 CO 0.56 -0.19 0.21 -0.69 0.00 0.00 0.00 175.10 174.99 2shp s VAL 291 N 3.60 5.30 -0.29 2.92 1.01 -1.26 -4.10 120.40 127.57 2shp s VAL 291 Ca 0.54 0.00 -0.21 0.00 0.00 0.00 0.00 61.98 62.30 2shp s VAL 291 Cb -0.20 -3.61 -0.01 0.00 0.00 0.00 0.00 36.38 32.56 2shp s VAL 291 CO 0.15 0.13 0.69 -0.76 0.00 0.00 0.00 175.10 175.31 2shp s LEU 292 N 1.74 4.11 0.00 3.92 1.43 -0.30 -4.91 118.68 124.67 2shp s LEU 292 Ca 0.07 0.57 0.19 0.00 -1.03 0.00 0.00 54.13 53.93 2shp s LEU 292 Cb -0.17 -2.92 0.53 0.00 0.03 0.00 0.00 46.19 43.67 2shp s LEU 292 CO 0.11 -0.50 1.44 1.41 0.23 0.00 0.00 176.35 179.04 2shp n HIS 293 N 5.96 0.76 0.11 0.29 8.25 -1.26 -4.11 115.22 125.22 2shp n HIS 293 Ca 0.01 -0.38 -0.24 0.00 -0.26 0.00 0.00 57.72 56.85 2shp n HIS 293 Cb 0.49 0.00 -0.15 0.00 1.12 0.00 0.00 29.99 31.44 2shp n HIS 293 CO 0.00 0.00 0.00 -0.44 0.64 0.00 0.00 176.34 176.54 2shp h ASP 294 N 3.53 0.71 -0.17 0.41 3.45 -1.96 -3.52 116.42 118.87 2shp h ASP 294 Ca 0.00 -0.93 -0.06 0.00 0.43 0.00 0.00 57.03 56.48 2shp h ASP 294 Cb 0.80 -0.23 0.02 0.00 -0.56 0.00 0.00 39.33 39.36 2shp h ASP 294 CO 0.00 1.68 -0.10 -0.24 -1.57 0.00 0.00 179.24 179.01 2shp n SER 302 N -3.77 -0.31 -0.82 6.45 2.88 -1.26 -5.19 113.62 111.60 2shp n SER 302 Ca -0.19 0.06 0.07 0.00 -1.33 0.00 0.00 58.87 57.49 2shp n SER 302 Cb 1.04 -0.08 0.20 0.00 -0.75 0.00 0.00 64.21 64.62 2shp n SER 302 CO 0.00 0.00 0.00 -0.90 -1.23 0.00 0.00 175.04 172.91 2shp n ASP 303 N 0.22 3.25 -4.49 -3.46 5.75 -1.26 -4.77 116.55 111.79 2shp n ASP 303 Ca 0.01 -2.08 -0.33 0.00 -0.01 0.00 0.00 54.79 52.38 2shp n ASP 303 Cb 0.04 -0.31 -0.13 0.00 -1.03 0.00 0.00 41.12 39.69 2shp n ASP 303 CO 0.00 0.00 0.00 -0.47 -0.11 0.00 0.00 177.20 176.62 2shp s TYR 304 N -1.15 2.76 -0.15 2.11 5.04 -1.26 -1.15 117.35 123.54 2shp s TYR 304 Ca 0.30 -0.16 -0.14 0.00 -2.44 0.00 0.00 57.07 54.63 2shp s TYR 304 Cb 0.17 -1.66 0.04 0.00 0.35 0.00 0.00 41.96 40.85 2shp s TYR 304 CO 0.19 0.19 0.41 -1.50 -1.34 0.00 0.00 175.55 173.49 2shp s ILE 305 N -0.66 -0.00 -1.18 3.14 2.07 -1.26 -4.95 121.20 118.37 2shp s ILE 305 Ca 0.10 0.00 -0.23 0.00 -1.41 0.00 0.00 60.65 59.12 2shp s ILE 305 Cb -0.11 -0.57 -0.08 0.00 0.13 0.00 0.00 42.46 41.83 2shp s ILE 305 CO 0.01 0.00 1.93 0.21 -1.91 0.00 0.00 174.94 175.18 2shp s ASN 306 N 0.25 5.09 -0.07 4.50 3.84 -1.26 -4.58 114.94 122.70 2shp s ASN 306 Ca -0.00 -1.65 -0.28 0.00 0.21 0.00 0.00 52.86 51.14 2shp s ASN 306 Cb -0.03 -2.59 0.06 0.00 -0.55 0.00 0.00 41.25 38.14 2shp s ASN 306 CO 0.00 -3.01 0.63 0.00 -2.79 0.00 0.00 177.10 171.93 2shp s ALA 307 N 10.78 -1.62 0.01 1.71 0.00 -1.26 -3.21 121.76 128.17 2shp s ALA 307 Ca 0.68 1.27 0.04 0.00 0.00 0.00 0.00 51.96 53.95 2shp s ALA 307 Cb -0.01 -0.14 -0.01 0.00 0.00 0.00 0.00 23.12 22.95 2shp s ALA 307 CO 0.12 -0.35 -0.13 -0.80 0.00 0.00 0.00 175.76 174.61 2shp s ASN 308 N -0.99 1.51 0.00 0.00 -0.87 -0.64 -0.70 114.94 113.25 2shp s ASN 308 Ca -0.10 -0.31 -0.30 0.00 -1.57 0.00 0.00 52.86 50.57 2shp s ASN 308 Cb -0.01 -0.14 -0.06 0.00 -0.02 0.00 0.00 41.25 41.02 2shp s ASN 308 CO 0.08 0.10 1.40 -0.63 -2.57 0.00 0.00 177.10 175.48 2shp s ILE 309 N -0.52 3.70 -0.45 0.60 -1.09 -0.47 -1.18 121.20 121.79 2shp s ILE 309 Ca 0.03 1.09 -0.11 0.00 -2.23 0.00 0.00 60.65 59.43 2shp s ILE 309 Cb -0.06 -3.70 0.09 0.00 -1.58 0.00 0.00 42.46 37.21 2shp s ILE 309 CO 0.00 0.00 0.32 -0.63 -1.23 0.00 0.00 174.94 173.40 2shp s ILE 310 N 2.35 4.48 -0.34 2.92 -1.09 0.15 -4.90 121.20 124.77 2shp s ILE 310 Ca 0.64 -1.42 -0.15 0.00 -2.23 0.00 0.00 60.65 57.49 2shp s ILE 310 Cb -0.32 -3.78 -0.01 0.00 -1.58 0.00 0.00 42.46 36.78 2shp s ILE 310 CO 0.27 -0.60 0.37 -0.04 -1.23 0.00 0.00 174.94 173.71 2shp s MET 311 N 1.47 3.56 0.00 2.79 -1.94 -1.26 -1.26 119.30 122.65 2shp s MET 311 Ca 0.04 -0.41 0.00 0.00 -1.71 0.00 0.00 55.69 53.60 2shp s MET 311 Cb -0.24 -3.81 0.00 0.00 2.01 0.00 0.00 34.83 32.79 2shp s MET 311 CO 0.02 -0.53 0.76 -2.30 -0.01 0.00 0.00 175.02 172.96 2shp n PRO 312 N 5.40 0.00 -0.03 2.03 -0.02 -1.26 -5.00 135.00 136.12 2shp n PRO 312 Ca -0.09 0.41 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2shp n PRO 312 Cb 0.49 -1.33 -0.05 0.00 -0.02 0.00 0.00 33.50 32.60 2shp n PRO 312 CO 0.00 0.00 0.00 -0.22 1.98 0.00 0.00 175.50 177.26 2shp h LYS 324 N 0.00 0.20 -6.37 -0.52 3.64 -2.04 -3.51 116.57 107.97 2shp h LYS 324 Ca 0.00 -0.02 -0.54 0.00 -1.27 0.00 0.00 60.65 58.81 2shp h LYS 324 Cb 0.00 -0.04 -0.00 0.00 -0.41 0.00 0.00 32.23 31.78 2shp h LYS 324 CO 0.00 0.21 0.85 0.21 -2.27 0.00 0.00 179.45 178.44 2shp s LYS 325 N -5.90 4.28 0.42 1.90 2.20 -1.26 -5.04 119.74 116.34 2shp s LYS 325 Ca -0.13 1.98 0.07 0.00 -0.36 0.00 0.00 55.97 57.53 2shp s LYS 325 Cb 0.07 -3.58 -0.06 0.00 -1.51 0.00 0.00 37.83 32.75 2shp s LYS 325 CO 0.69 -0.59 0.10 -1.54 -0.36 0.00 0.00 175.35 173.65 2shp s SER 326 N 1.93 4.16 0.14 1.43 1.04 -1.26 -4.96 113.70 116.17 2shp s SER 326 Ca 0.64 -1.25 0.07 0.00 0.48 0.00 0.00 55.95 55.89 2shp s SER 326 Cb -0.32 -0.36 -0.04 0.00 0.10 0.00 0.00 66.02 65.40 2shp s SER 326 CO 0.27 -0.53 -0.16 -0.31 0.98 0.00 0.00 173.24 173.49 2shp s TYR 327 N -2.67 1.56 -0.23 5.02 1.51 -0.39 -1.20 117.35 120.96 2shp s TYR 327 Ca 0.36 -0.53 -0.04 0.00 -1.01 0.00 0.00 57.07 55.86 2shp s TYR 327 Cb 0.06 -0.80 -0.00 0.00 -0.11 0.00 0.00 41.96 41.11 2shp s TYR 327 CO 0.19 0.21 -0.04 0.42 -1.11 0.00 0.00 175.55 175.23 2shp s ILE 328 N -2.14 3.32 -0.22 2.71 1.01 -0.60 0.33 121.20 125.61 2shp s ILE 328 Ca 0.12 -0.58 -0.13 0.00 0.00 0.00 0.00 60.65 60.06 2shp s ILE 328 Cb -0.05 -2.54 -0.04 0.00 0.01 0.00 0.00 42.46 39.84 2shp s ILE 328 CO 0.04 0.38 0.29 0.00 0.00 0.00 0.00 174.94 175.65 2shp s ALA 329 N 1.46 3.58 0.20 9.38 0.00 -0.33 -0.67 121.76 135.38 2shp s ALA 329 Ca 0.05 -0.69 -0.05 0.00 0.00 0.00 0.00 51.96 51.27 2shp s ALA 329 Cb -0.15 -2.48 -0.03 0.00 0.00 0.00 0.00 23.12 20.46 2shp s ALA 329 CO -0.03 -0.24 0.22 -0.08 0.00 0.00 0.00 175.76 175.62 2shp s THR 330 N 1.18 0.02 0.74 0.00 -1.32 -0.24 -1.63 115.64 114.39 2shp s THR 330 Ca 0.14 -1.78 -0.09 0.00 -1.21 0.00 0.00 61.69 58.74 2shp s THR 330 Cb -0.14 -2.29 0.06 0.00 -1.51 0.00 0.00 72.50 68.62 2shp s THR 330 CO 0.06 -0.10 1.08 0.00 -2.21 0.00 0.00 174.62 173.46 2shp s GLN 331 N -4.09 2.26 0.42 7.08 -2.07 -1.20 -3.68 119.66 118.39 2shp s GLN 331 Ca 0.31 0.02 -0.25 0.00 -1.82 0.00 0.00 55.36 53.62 2shp s GLN 331 Cb 0.05 -2.07 -0.08 0.00 -1.09 0.00 0.00 33.01 29.82 2shp s GLN 331 CO 0.08 -1.31 1.20 0.20 -1.32 0.00 0.00 175.29 174.15 2shp s GLY 332 N -4.50 2.86 0.31 2.60 0.00 -0.50 -4.74 107.32 103.35 2shp s GLY 332 Ca 0.60 1.03 -0.28 0.00 0.00 0.00 0.00 44.72 46.07 2shp s GLY 332 CO 0.48 1.55 1.18 0.00 0.00 0.00 0.00 173.10 176.30 2shp s LEU 334 N -0.34 3.88 0.54 0.00 1.43 -1.26 -1.39 118.68 121.55 2shp s LEU 334 Ca 0.58 0.35 0.22 0.00 -1.03 0.00 0.00 54.13 54.25 2shp s LEU 334 Cb -0.63 -3.22 1.45 0.00 0.03 0.00 0.00 46.19 43.81 2shp s LEU 334 CO 0.61 -0.45 2.12 0.06 0.23 0.00 0.00 176.35 178.91 2shp h GLN 335 N 0.63 0.00 -0.33 1.70 3.07 -1.96 -0.08 115.11 118.14 2shp h GLN 335 Ca -0.48 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.26 2shp h GLN 335 Cb 1.23 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.79 2shp h GLN 335 CO 0.59 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.78 2shp n ASN 336 N -4.27 2.36 0.00 0.06 0.23 -1.26 -3.68 115.26 108.69 2shp n ASN 336 Ca 0.01 -1.89 0.00 0.00 -0.53 0.00 0.00 54.58 52.17 2shp n ASN 336 Cb 0.25 -0.22 0.00 0.00 -2.08 0.00 0.00 39.78 37.74 2shp n ASN 336 CO 0.00 0.00 0.00 0.35 -0.93 0.00 0.00 177.26 176.68 2shp n THR 337 N 0.78 0.00 -0.22 5.53 -2.24 -0.07 -4.72 114.28 113.33 2shp n THR 337 Ca 0.17 -0.46 0.01 0.00 -2.27 0.00 0.00 64.05 61.50 2shp n THR 337 Cb 0.41 1.07 0.13 0.00 -2.10 0.00 0.00 70.33 69.84 2shp n THR 337 CO 0.00 0.00 0.00 0.58 -0.57 0.00 0.00 175.07 175.08 2shp h VAL 338 N 0.07 0.76 -0.43 2.28 2.07 -1.56 0.12 116.25 119.57 2shp h VAL 338 Ca 0.00 -0.16 -0.11 0.00 0.82 0.00 0.00 66.70 67.26 2shp h VAL 338 Cb 0.04 0.26 -0.02 0.00 -1.52 0.00 0.00 31.29 30.05 2shp h VAL 338 CO 0.00 0.08 -0.16 0.78 0.02 0.00 0.00 177.57 178.30 2shp h ASN 339 N 0.46 0.81 0.23 0.57 -0.26 -1.84 -2.74 115.58 112.81 2shp h ASN 339 Ca 0.34 -0.27 -0.14 0.00 -0.56 0.00 0.00 56.30 55.68 2shp h ASN 339 Cb 0.43 -0.22 -0.01 0.00 -1.06 0.00 0.00 38.32 37.46 2shp h ASN 339 CO -0.32 0.97 -0.52 0.44 -1.06 0.00 0.00 177.43 176.94 2shp h ASP 340 N 0.72 0.35 -0.38 5.81 3.32 -1.49 -2.33 116.42 122.42 2shp h ASP 340 Ca 0.11 -0.18 0.04 0.00 0.02 0.00 0.00 57.03 57.02 2shp h ASP 340 Cb 0.66 -0.10 -0.04 0.00 0.22 0.00 0.00 39.33 40.07 2shp h ASP 340 CO 0.05 0.82 0.15 0.15 -1.72 0.00 0.00 179.24 178.68 2shp h PHE 341 N 0.25 0.27 -0.08 4.55 3.57 -0.53 -0.34 116.94 124.62 2shp h PHE 341 Ca 0.01 0.02 -0.14 0.00 3.53 0.00 0.00 57.97 61.38 2shp h PHE 341 Cb 1.01 -0.06 -0.01 0.00 2.79 0.00 0.00 35.95 39.67 2shp h PHE 341 CO 0.02 0.12 -0.57 -1.49 -2.23 0.00 0.00 178.31 174.16 2shp h TRP 342 N 0.32 0.33 -0.56 0.41 4.06 -1.44 -1.03 115.95 118.03 2shp h TRP 342 Ca 0.17 -0.12 0.09 0.00 2.06 0.00 0.00 58.89 61.09 2shp h TRP 342 Cb 0.13 -0.06 -0.07 0.00 -1.00 0.00 0.00 29.16 28.16 2shp h TRP 342 CO -0.13 0.77 0.18 0.00 -3.56 0.00 0.00 178.44 175.69 2shp h ARG 343 N 0.20 0.33 0.24 0.49 3.08 -1.06 -0.38 114.38 117.28 2shp h ARG 343 Ca -0.00 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.02 2shp h ARG 343 Cb 1.06 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 31.04 2shp h ARG 343 CO 0.09 0.22 -0.11 1.98 -1.07 0.00 0.00 179.97 181.07 2shp h MET 344 N 0.34 -0.31 -0.62 0.04 4.05 -0.64 0.38 114.93 118.17 2shp h MET 344 Ca 0.28 0.02 0.08 0.00 -0.28 0.00 0.00 59.70 59.80 2shp h MET 344 Cb 0.36 0.07 -0.06 0.00 -0.80 0.00 0.00 31.60 31.17 2shp h MET 344 CO -0.32 -0.12 0.29 0.28 0.23 0.00 0.00 176.91 177.28 2shp h VAL 345 N -0.44 0.86 0.25 -5.77 2.07 -1.12 -0.01 116.25 112.08 2shp h VAL 345 Ca -0.03 -0.18 -0.01 0.00 0.82 0.00 0.00 66.70 67.30 2shp h VAL 345 Cb 0.34 0.29 0.00 0.00 -1.52 0.00 0.00 31.29 30.40 2shp h VAL 345 CO 0.05 0.09 -0.12 0.15 0.02 0.00 0.00 177.57 177.77 2shp h PHE 346 N 0.52 -0.31 -0.40 1.57 3.57 -1.02 -2.10 116.94 118.77 2shp h PHE 346 Ca 0.30 -0.01 0.04 0.00 3.53 0.00 0.00 57.97 61.84 2shp h PHE 346 Cb 0.30 0.10 -0.04 0.00 2.79 0.00 0.00 35.95 39.10 2shp h PHE 346 CO -0.12 -0.05 0.16 0.37 -2.23 0.00 0.00 178.31 176.44 2shp h GLN 347 N -0.54 0.33 -0.00 1.11 4.15 -0.70 -2.62 115.11 116.83 2shp h GLN 347 Ca -0.03 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.37 2shp h GLN 347 Cb 0.40 -0.07 0.00 0.00 0.21 0.00 0.00 27.48 28.02 2shp h GLN 347 CO 0.06 0.22 -0.02 0.39 -1.93 0.00 0.00 178.83 177.55 2shp n GLU 348 N -4.98 1.00 -2.41 1.69 -0.58 -0.04 -4.90 120.64 110.42 2shp n GLU 348 Ca 0.02 -0.20 -0.20 0.00 -0.42 0.00 0.00 57.16 56.36 2shp n GLU 348 Cb 0.13 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.49 2shp n GLU 348 CO 0.00 0.00 0.00 -1.71 -0.48 0.00 0.00 177.13 174.94 2shp n ASN 349 N -0.83 -5.79 -4.76 1.62 5.15 -0.86 -4.16 115.26 105.63 2shp n ASN 349 Ca 0.20 -0.00 -0.41 0.00 -0.60 0.00 0.00 54.58 53.77 2shp n ASN 349 Cb 0.19 -4.82 -0.02 0.00 -0.53 0.00 0.00 39.78 34.60 2shp n ASN 349 CO 0.00 0.00 0.00 -0.44 1.40 0.00 0.00 177.26 178.22 2shp s SER 350 N -2.05 6.72 0.00 1.20 0.01 -0.85 -0.19 113.70 118.54 2shp s SER 350 Ca 0.00 2.67 0.00 0.00 1.31 0.00 0.00 55.95 59.93 2shp s SER 350 Cb -0.00 -2.64 0.00 0.00 0.21 0.00 0.00 66.02 63.59 2shp s SER 350 CO 0.00 -0.61 0.38 0.54 0.41 0.00 0.00 173.24 173.96 2shp n ARG 351 N 1.52 -0.09 -3.80 12.44 5.12 -1.26 -4.83 116.66 125.76 2shp n ARG 351 Ca 0.03 -0.38 -0.14 0.00 -1.93 0.00 0.00 57.85 55.44 2shp n ARG 351 Cb 0.41 -0.87 -0.15 0.00 -1.16 0.00 0.00 32.46 30.69 2shp n ARG 351 CO 0.00 0.00 0.00 0.08 -1.93 0.00 0.00 177.63 175.78 2shp s VAL 352 N -0.10 -0.03 -0.05 1.55 1.01 -1.26 -1.12 120.40 120.40 2shp s VAL 352 Ca 0.00 0.13 0.06 0.00 0.00 0.00 0.00 61.98 62.17 2shp s VAL 352 Cb 0.00 -0.10 -0.01 0.00 0.00 0.00 0.00 36.38 36.27 2shp s VAL 352 CO 0.00 0.05 -0.25 -0.63 0.00 0.00 0.00 175.10 174.27 2shp s ILE 353 N 0.68 2.08 -0.20 2.22 1.01 -0.29 -1.50 121.20 125.20 2shp s ILE 353 Ca -0.06 -1.06 -0.02 0.00 0.00 0.00 0.00 60.65 59.51 2shp s ILE 353 Cb -0.08 -1.75 0.00 0.00 0.01 0.00 0.00 42.46 40.65 2shp s ILE 353 CO -0.02 0.57 -0.10 -0.69 0.00 0.00 0.00 174.94 174.70 2shp s VAL 354 N -0.22 2.89 -0.20 2.92 1.01 0.18 -0.23 120.40 126.75 2shp s VAL 354 Ca -0.02 -0.66 -0.02 0.00 0.00 0.00 0.00 61.98 61.29 2shp s VAL 354 Cb -0.13 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.97 2shp s VAL 354 CO 0.03 0.47 -0.11 -0.32 0.00 0.00 0.00 175.10 175.17 2shp s MET 355 N 1.35 3.23 -0.36 2.72 0.00 -0.41 -1.18 119.30 124.64 2shp s MET 355 Ca 0.04 -0.71 0.06 0.00 0.00 0.00 0.00 55.69 55.09 2shp s MET 355 Cb -0.14 -2.81 0.49 0.00 0.00 0.00 0.00 34.83 32.37 2shp s MET 355 CO -0.06 -0.17 1.50 0.25 0.00 0.00 0.00 175.02 176.54 2shp n THR 356 N 4.62 2.76 -3.56 10.11 -2.24 -0.68 -0.15 114.28 125.15 2shp n THR 356 Ca -0.19 -3.19 -0.16 0.00 -2.27 0.00 0.00 64.05 58.24 2shp n THR 356 Cb 0.51 -0.71 -0.06 0.00 -2.10 0.00 0.00 70.33 67.97 2shp n THR 356 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 2shp s THR 357 N -3.92 0.02 0.81 4.28 -1.32 -1.20 -4.83 115.64 109.48 2shp s THR 357 Ca 0.50 -0.13 -0.11 0.00 -1.21 0.00 0.00 61.69 60.74 2shp s THR 357 Cb 0.43 -0.95 0.08 0.00 -1.51 0.00 0.00 72.50 70.55 2shp s THR 357 CO 0.01 -0.07 1.09 -0.54 -2.21 0.00 0.00 174.62 172.90 2shp s LYS 358 N -1.79 1.99 0.33 7.08 1.02 -1.26 -4.80 119.74 122.30 2shp s LYS 358 Ca -0.09 0.72 0.01 0.00 0.02 0.00 0.00 55.97 56.63 2shp s LYS 358 Cb -0.01 -1.90 0.56 0.00 -0.52 0.00 0.00 37.83 35.96 2shp s LYS 358 CO 0.04 -1.71 1.99 0.93 -0.92 0.00 0.00 175.35 175.68 2shp h GLU 359 N -1.16 0.92 -3.92 1.68 5.08 -1.96 -3.40 114.58 111.83 2shp h GLU 359 Ca -0.47 -0.06 -0.25 0.00 -1.00 0.00 0.00 59.36 57.58 2shp h GLU 359 Cb 1.27 -0.20 -0.27 0.00 0.50 0.00 0.00 28.75 30.04 2shp h GLU 359 CO 0.58 0.62 -0.73 0.14 -1.00 0.00 0.00 179.01 178.62 2shp s VAL 360 N -5.77 0.13 -0.01 3.13 -7.23 -1.26 0.17 120.40 109.55 2shp s VAL 360 Ca -0.11 -0.20 0.01 0.00 -1.81 0.00 0.00 61.98 59.87 2shp s VAL 360 Cb 0.18 -0.14 0.01 0.00 0.56 0.00 0.00 36.38 36.99 2shp s VAL 360 CO 0.78 -0.05 -0.01 -1.61 -0.31 0.00 0.00 175.10 173.90 2shp s GLU 361 N -0.27 0.22 -1.47 4.82 2.02 -0.23 -4.84 118.70 118.95 2shp s GLU 361 Ca -0.02 -0.00 -0.07 0.00 0.02 0.00 0.00 54.97 54.90 2shp s GLU 361 Cb -0.02 -0.30 0.03 0.00 0.10 0.00 0.00 34.13 33.93 2shp s GLU 361 CO -0.00 -0.04 0.69 0.54 0.02 0.00 0.00 175.26 176.47 2shp n ARG 362 N 3.53 -5.00 0.00 1.61 1.74 -1.26 -1.60 116.66 115.68 2shp n ARG 362 Ca -0.19 0.77 0.00 0.00 -0.77 0.00 0.00 57.85 57.66 2shp n ARG 362 Cb 0.55 -5.63 0.00 0.00 -1.02 0.00 0.00 32.46 26.36 2shp n ARG 362 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 2shp n GLY 363 N -1.52 2.91 3.87 -0.13 0.00 -1.26 -4.99 105.19 104.07 2shp n GLY 363 Ca -0.06 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.62 2shp n GLY 363 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2shp s LYS 364 N -0.08 3.73 -0.19 1.61 1.02 -0.63 -5.06 119.74 120.14 2shp s LYS 364 Ca 0.00 0.12 -0.28 0.00 0.02 0.00 0.00 55.97 55.84 2shp s LYS 364 Cb 0.00 -2.95 -0.00 0.00 -0.52 0.00 0.00 37.83 34.35 2shp s LYS 364 CO 0.00 0.53 0.96 0.45 -0.92 0.00 0.00 175.35 176.37 2shp s SER 365 N -1.91 7.07 -0.12 2.83 0.15 -1.26 -1.07 113.70 119.39 2shp s SER 365 Ca 0.35 1.32 0.20 0.00 0.70 0.00 0.00 55.95 58.52 2shp s SER 365 Cb -0.13 -2.51 -0.28 0.00 -1.71 0.00 0.00 66.02 61.38 2shp s SER 365 CO 0.19 -0.54 0.28 0.29 1.20 0.00 0.00 173.24 174.66 2shp n LYS 366 N 5.72 0.67 -3.64 5.44 4.76 0.13 -4.96 118.16 126.28 2shp n LYS 366 Ca 0.09 -0.08 -0.05 0.00 -2.87 0.00 0.00 58.31 55.40 2shp n LYS 366 Cb 0.47 -1.53 -0.07 0.00 -1.84 0.00 0.00 35.03 32.06 2shp n LYS 366 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 2shp s VAL 368 N 1.26 4.20 -0.31 0.00 -7.23 -0.48 -4.50 120.40 113.33 2shp s VAL 368 Ca -0.07 1.73 -0.30 0.00 -1.81 0.00 0.00 61.98 61.53 2shp s VAL 368 Cb -0.04 -3.92 -0.08 0.00 0.56 0.00 0.00 36.38 32.90 2shp s VAL 368 CO -0.15 0.06 2.25 1.17 -0.31 0.00 0.00 175.10 178.12 2shp n LYS 369 N 0.32 1.50 -0.32 4.82 4.81 -1.26 -4.62 118.16 123.41 2shp n LYS 369 Ca 0.03 0.37 0.09 0.00 -0.87 0.00 0.00 58.31 57.94 2shp n LYS 369 Cb 0.51 -2.96 0.27 0.00 0.02 0.00 0.00 35.03 32.87 2shp n LYS 369 CO 0.00 0.00 0.00 2.48 1.17 0.00 0.00 177.40 181.05 2shp n TYR 370 N 11.55 0.83 -4.29 5.64 0.18 -1.26 -4.97 117.16 124.83 2shp n TYR 370 Ca 0.36 -0.51 -0.24 0.00 1.88 0.00 0.00 57.90 59.38 2shp n TYR 370 Cb 0.37 -0.03 -0.13 0.00 -0.38 0.00 0.00 39.34 39.18 2shp n TYR 370 CO 0.00 0.00 0.00 1.67 -2.08 0.00 0.00 176.86 176.45 2shp s TRP 371 N -1.07 1.81 0.79 -3.48 -2.14 -1.26 -5.07 118.94 108.53 2shp s TRP 371 Ca 0.40 -0.42 -0.12 0.00 2.66 0.00 0.00 56.10 58.63 2shp s TRP 371 Cb 0.21 -0.99 0.07 0.00 -3.10 0.00 0.00 33.47 29.67 2shp s TRP 371 CO 0.26 0.21 1.13 -2.14 -2.66 0.00 0.00 176.95 173.75 2shp s PRO 372 N -1.92 1.94 0.82 3.25 0.02 -1.26 -5.01 135.00 132.84 2shp s PRO 372 Ca 0.07 1.39 -0.12 0.00 0.02 0.00 0.00 61.00 62.36 2shp s PRO 372 Cb -0.10 -1.84 0.09 0.00 0.02 0.00 0.00 34.50 32.67 2shp s PRO 372 CO 0.04 -1.91 1.15 -0.51 -0.33 0.00 0.00 177.00 175.44 2shp s ASP 373 N -2.89 3.66 0.04 2.53 1.01 -1.26 -4.70 116.67 115.07 2shp s ASP 373 Ca 0.65 2.17 -0.36 0.00 0.71 0.00 0.00 52.55 55.72 2shp s ASP 373 Cb -0.21 -2.57 -0.15 0.00 1.01 0.00 0.00 42.92 41.00 2shp s ASP 373 CO 0.53 -2.61 1.50 1.21 0.21 0.00 0.00 175.17 176.02 2shp n GLU 374 N -3.58 1.50 -0.03 8.23 2.13 -1.26 -1.28 120.64 126.34 2shp n GLU 374 Ca 0.12 0.54 0.00 0.00 0.66 0.00 0.00 57.16 58.48 2shp n GLU 374 Cb 0.52 -2.24 0.00 0.00 0.27 0.00 0.00 31.44 29.99 2shp n GLU 374 CO 0.00 0.00 0.00 0.66 -0.41 0.00 0.00 177.13 177.38 2shp n TYR 375 N 3.50 0.00 -2.29 4.31 4.01 0.14 -5.00 117.16 121.83 2shp n TYR 375 Ca 0.19 0.00 -0.29 0.00 -0.16 0.00 0.00 57.90 57.64 2shp n TYR 375 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.25 2shp n TYR 375 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 2shp s ALA 376 N -2.91 3.26 -0.07 -0.72 0.00 -0.41 -4.82 121.76 116.09 2shp s ALA 376 Ca 0.00 -0.29 0.04 0.00 0.00 0.00 0.00 51.96 51.71 2shp s ALA 376 Cb 0.00 -2.83 -0.00 0.00 0.00 0.00 0.00 23.12 20.29 2shp s ALA 376 CO 0.00 -0.49 -0.21 -1.17 0.00 0.00 0.00 175.76 173.89 2shp s LEU 377 N -4.89 1.97 0.06 0.00 2.96 -1.26 -1.75 118.68 115.77 2shp s LEU 377 Ca 0.51 -0.46 0.04 0.00 -0.22 0.00 0.00 54.13 54.01 2shp s LEU 377 Cb -0.11 -1.20 -0.03 0.00 0.50 0.00 0.00 46.19 45.35 2shp s LEU 377 CO 0.48 0.16 -0.12 -0.54 -1.32 0.00 0.00 176.35 175.01 2shp s LYS 378 N 0.18 0.73 -0.21 1.98 1.02 -0.26 -5.00 119.74 118.18 2shp s LYS 378 Ca -0.11 -0.85 -0.08 0.00 0.02 0.00 0.00 55.97 54.95 2shp s LYS 378 Cb -0.15 -0.67 -0.04 0.00 -0.52 0.00 0.00 37.83 36.45 2shp s LYS 378 CO 0.05 0.15 0.10 -1.21 -0.92 0.00 0.00 175.35 173.51 2shp s GLU 379 N -1.57 3.94 -0.63 1.68 2.02 -1.26 -0.76 118.70 122.12 2shp s GLU 379 Ca -0.04 -0.35 -0.01 0.00 0.02 0.00 0.00 54.97 54.59 2shp s GLU 379 Cb -0.09 -3.34 0.16 0.00 0.10 0.00 0.00 34.13 30.95 2shp s GLU 379 CO 0.02 0.11 0.43 0.71 0.02 0.00 0.00 175.26 176.55 2shp s TYR 380 N 0.86 3.39 0.00 1.61 2.02 0.25 -4.98 117.35 120.50 2shp s TYR 380 Ca 0.05 -2.86 0.00 0.00 -0.37 0.00 0.00 57.07 53.89 2shp s TYR 380 Cb -0.13 -3.11 0.00 0.00 -0.40 0.00 0.00 41.96 38.32 2shp s TYR 380 CO 0.03 -0.80 0.00 0.41 -1.57 0.00 0.00 175.55 173.61 2shp n GLY 381 N 3.25 2.77 0.02 0.71 0.00 -1.26 -1.60 105.19 109.09 2shp n GLY 381 Ca 0.09 -0.25 0.16 0.00 0.00 0.00 0.00 46.02 46.01 2shp n GLY 381 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2shp n VAL 382 N 0.00 0.00 -4.13 1.61 0.24 -1.26 -4.81 118.33 109.97 2shp n VAL 382 Ca 0.00 -0.01 -0.36 0.00 -2.04 0.00 0.00 64.34 61.93 2shp n VAL 382 Cb 0.00 -0.45 -0.08 0.00 -1.47 0.00 0.00 33.84 31.84 2shp n VAL 382 CO 0.00 0.00 0.00 -0.04 -2.14 0.00 0.00 176.83 174.65 2shp s MET 383 N -2.17 3.19 -0.10 7.34 1.00 -0.62 -0.25 119.30 127.69 2shp s MET 383 Ca 0.42 -0.29 0.03 0.00 0.00 0.00 0.00 55.69 55.85 2shp s MET 383 Cb 0.21 -2.97 0.01 0.00 0.00 0.00 0.00 34.83 32.08 2shp s MET 383 CO 0.40 0.73 -0.18 0.50 0.00 0.00 0.00 175.02 176.47 2shp s ARG 384 N -1.02 2.47 -0.03 2.03 3.52 0.06 0.86 118.95 126.85 2shp s ARG 384 Ca 0.15 -0.67 0.02 0.00 -0.13 0.00 0.00 55.73 55.10 2shp s ARG 384 Cb -0.12 -1.97 0.01 0.00 -1.56 0.00 0.00 34.95 31.31 2shp s ARG 384 CO 0.04 0.05 -0.07 0.54 -0.81 0.00 0.00 175.30 175.05 2shp s VAL 385 N 0.65 0.66 -0.11 7.11 0.11 0.06 -1.21 120.40 127.68 2shp s VAL 385 Ca -0.13 -0.28 -0.00 0.00 -2.93 0.00 0.00 61.98 58.64 2shp s VAL 385 Cb -0.16 -0.60 -0.02 0.00 -1.53 0.00 0.00 36.38 34.06 2shp s VAL 385 CO 0.04 0.22 -0.10 0.00 -3.33 0.00 0.00 175.10 171.92 2shp s ARG 386 N 0.29 3.18 -0.83 1.54 1.70 -0.59 -1.10 118.95 123.15 2shp s ARG 386 Ca -0.04 -0.63 -0.25 0.00 -0.47 0.00 0.00 55.73 54.34 2shp s ARG 386 Cb -0.09 -2.64 0.04 0.00 -0.57 0.00 0.00 34.95 31.70 2shp s ARG 386 CO 0.00 0.37 1.31 1.21 -1.08 0.00 0.00 175.30 177.11 2shp s ASN 387 N -0.04 6.28 0.09 -2.89 3.84 -0.72 -0.89 114.94 120.62 2shp s ASN 387 Ca -0.02 -0.84 -0.18 0.00 0.21 0.00 0.00 52.86 52.04 2shp s ASN 387 Cb -0.14 -2.55 -0.07 0.00 -0.55 0.00 0.00 41.25 37.94 2shp s ASN 387 CO 0.03 -1.69 1.55 0.58 -2.79 0.00 0.00 177.10 174.78 2shp h VAL 388 N 6.26 1.24 -1.82 -5.21 2.07 -0.67 0.40 116.25 118.53 2shp h VAL 388 Ca -0.12 -0.85 0.01 0.00 0.82 0.00 0.00 66.70 66.56 2shp h VAL 388 Cb 1.04 1.27 -0.23 0.00 -1.52 0.00 0.00 31.29 31.84 2shp h VAL 388 CO 1.32 0.27 0.28 -0.75 0.02 0.00 0.00 177.57 178.71 2shp s LYS 389 N -5.09 0.69 -0.10 1.57 2.47 -1.21 -4.48 119.74 113.60 2shp s LYS 389 Ca -0.14 0.80 -0.01 0.00 -1.56 0.00 0.00 55.97 55.07 2shp s LYS 389 Cb 0.08 0.34 -0.03 0.00 -1.46 0.00 0.00 37.83 36.76 2shp s LYS 389 CO 0.75 -0.09 -0.07 -1.21 0.16 0.00 0.00 175.35 174.89 2shp s GLU 390 N 0.27 3.09 -0.24 4.03 2.02 -1.26 -0.59 118.70 126.02 2shp s GLU 390 Ca 0.01 -0.56 0.01 0.00 0.02 0.00 0.00 54.97 54.45 2shp s GLU 390 Cb -0.05 -2.69 0.04 0.00 0.10 0.00 0.00 34.13 31.53 2shp s GLU 390 CO -0.02 0.49 -0.11 -1.12 0.02 0.00 0.00 175.26 174.52 2shp s SER 391 N -0.34 4.13 -0.10 -0.19 0.01 0.76 -4.97 113.70 113.00 2shp s SER 391 Ca 0.05 -1.06 -0.23 0.00 1.31 0.00 0.00 55.95 56.02 2shp s SER 391 Cb -0.12 -1.58 -0.03 0.00 0.21 0.00 0.00 66.02 64.49 2shp s SER 391 CO 0.02 -0.13 0.68 0.00 0.41 0.00 0.00 173.24 174.22 2shp s ALA 392 N 1.22 3.39 0.27 1.44 0.00 -1.26 -0.91 121.76 125.92 2shp s ALA 392 Ca -0.03 0.04 0.02 0.00 0.00 0.00 0.00 51.96 51.99 2shp s ALA 392 Cb -0.17 -2.94 0.02 0.00 0.00 0.00 0.00 23.12 20.03 2shp s ALA 392 CO -0.06 -0.19 0.18 0.00 0.00 0.00 0.00 175.76 175.68 2shp n ALA 393 N 4.04 0.40 -0.05 0.00 0.00 0.22 -5.00 120.51 120.13 2shp n ALA 393 Ca -0.01 -1.12 -0.14 0.00 0.00 0.00 0.00 53.44 52.17 2shp n ALA 393 Cb 0.51 0.48 -0.07 0.00 0.00 0.00 0.00 19.45 20.37 2shp n ALA 393 CO 0.00 0.00 0.00 1.25 0.00 0.00 0.00 177.50 178.75 2shp h HIS 394 N 0.65 0.54 0.00 0.00 2.76 -2.03 -3.33 115.15 113.74 2shp h HIS 394 Ca -0.18 -0.19 0.00 0.00 -2.20 0.00 0.00 60.37 57.80 2shp h HIS 394 Cb 0.64 -0.10 0.00 0.00 1.55 0.00 0.00 27.41 29.50 2shp h HIS 394 CO 0.00 0.89 -1.03 -0.25 -1.30 0.00 0.00 177.93 176.24 2shp n ASP 395 N -4.43 0.63 -3.88 3.26 8.00 -1.26 -4.86 116.55 114.01 2shp n ASP 395 Ca -0.07 -0.01 -0.09 0.00 0.71 0.00 0.00 54.79 55.33 2shp n ASP 395 Cb 0.45 0.70 -0.05 0.00 -0.02 0.00 0.00 41.12 42.20 2shp n ASP 395 CO 0.00 0.00 0.00 -0.72 -0.39 0.00 0.00 177.20 176.09 2shp s TYR 396 N -3.26 0.18 -0.07 1.24 1.13 -1.25 -0.61 117.35 114.71 2shp s TYR 396 Ca 0.02 -0.54 0.04 0.00 -1.41 0.00 0.00 57.07 55.18 2shp s TYR 396 Cb 0.13 0.18 0.00 0.00 -1.10 0.00 0.00 41.96 41.17 2shp s TYR 396 CO 0.79 -0.86 -0.19 0.99 -2.51 0.00 0.00 175.55 173.77 2shp s THR 397 N -3.94 1.66 -0.21 -3.49 2.01 -0.21 -0.61 115.64 110.84 2shp s THR 397 Ca 0.15 -0.80 -0.11 0.00 0.31 0.00 0.00 61.69 61.24 2shp s THR 397 Cb 0.01 -1.44 -0.05 0.00 0.01 0.00 0.00 72.50 71.03 2shp s THR 397 CO 0.01 0.47 0.18 -0.22 -0.69 0.00 0.00 174.62 174.36 2shp s LEU 398 N 0.32 4.17 -0.20 4.42 2.96 -0.08 -0.53 118.68 129.73 2shp s LEU 398 Ca -0.13 0.22 0.00 0.00 -0.22 0.00 0.00 54.13 54.00 2shp s LEU 398 Cb -0.16 -2.15 0.02 0.00 0.50 0.00 0.00 46.19 44.41 2shp s LEU 398 CO 0.05 0.10 -0.16 -0.13 -1.32 0.00 0.00 176.35 174.90 2shp s ARG 399 N 0.74 2.95 -0.55 1.98 0.52 -0.12 -0.17 118.95 124.30 2shp s ARG 399 Ca 0.09 -0.87 -0.25 0.00 -0.52 0.00 0.00 55.73 54.18 2shp s ARG 399 Cb -0.13 -2.69 0.04 0.00 0.52 0.00 0.00 34.95 32.70 2shp s ARG 399 CO 0.02 -0.26 1.00 -2.00 0.02 0.00 0.00 175.30 174.08 2shp s GLU 400 N 1.30 3.39 -0.11 3.54 2.12 0.25 -1.11 118.70 128.08 2shp s GLU 400 Ca 0.03 -0.10 -0.02 0.00 0.36 0.00 0.00 54.97 55.24 2shp s GLU 400 Cb -0.14 -4.03 -0.03 0.00 0.26 0.00 0.00 34.13 30.19 2shp s GLU 400 CO -0.10 -1.51 -0.03 -0.51 -0.54 0.00 0.00 175.26 172.57 2shp s LEU 401 N 4.17 3.38 -0.26 2.70 1.43 -0.04 0.08 118.68 130.14 2shp s LEU 401 Ca 0.34 0.01 -0.07 0.00 -1.03 0.00 0.00 54.13 53.37 2shp s LEU 401 Cb -0.11 -1.78 -0.02 0.00 0.03 0.00 0.00 46.19 44.31 2shp s LEU 401 CO 0.21 0.29 0.07 -0.54 0.23 0.00 0.00 176.35 176.61 2shp s LYS 402 N -0.36 3.49 -0.16 1.70 1.02 -0.07 0.21 119.74 125.57 2shp s LYS 402 Ca 0.06 -0.58 -0.03 0.00 0.02 0.00 0.00 55.97 55.44 2shp s LYS 402 Cb -0.12 -3.33 -0.02 0.00 -0.52 0.00 0.00 37.83 33.84 2shp s LYS 402 CO 0.02 -0.26 -0.07 -1.17 -0.92 0.00 0.00 175.35 172.95 2shp s LEU 403 N 1.58 3.03 0.07 3.17 2.96 0.32 -1.54 118.68 128.26 2shp s LEU 403 Ca 0.05 -0.23 -0.01 0.00 -0.22 0.00 0.00 54.13 53.73 2shp s LEU 403 Cb -0.16 -1.72 -0.04 0.00 0.50 0.00 0.00 46.19 44.77 2shp s LEU 403 CO 0.03 0.14 -0.03 -0.94 -1.32 0.00 0.00 176.35 174.24 2shp s SER 404 N 0.52 0.58 -0.17 3.68 1.04 -0.35 -0.95 113.70 118.04 2shp s SER 404 Ca -0.05 -1.02 -0.26 0.00 0.48 0.00 0.00 55.95 55.09 2shp s SER 404 Cb -0.15 0.19 -0.01 0.00 0.10 0.00 0.00 66.02 66.15 2shp s SER 404 CO 0.03 -0.59 0.89 -0.75 0.98 0.00 0.00 173.24 173.80 2shp s LYS 405 N -3.92 4.31 0.07 4.02 2.20 -1.26 -0.76 119.74 124.40 2shp s LYS 405 Ca 0.10 1.12 -0.37 0.00 -0.36 0.00 0.00 55.97 56.46 2shp s LYS 405 Cb 0.08 -3.58 -0.16 0.00 -1.51 0.00 0.00 37.83 32.65 2shp s LYS 405 CO -0.08 -0.38 1.40 0.28 -0.36 0.00 0.00 175.35 176.21 2shp n VAL 406 N 4.81 0.02 0.00 4.02 0.31 0.66 -1.43 118.33 126.73 2shp n VAL 406 Ca 0.06 -0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.39 2shp n VAL 406 Cb 0.48 -0.94 0.00 0.00 -0.91 0.00 0.00 33.84 32.47 2shp n VAL 406 CO 0.00 0.00 0.00 0.61 -1.32 0.00 0.00 176.83 176.12 2shp n GLY 407 N 2.74 2.12 2.79 2.92 0.00 -1.26 -4.97 105.19 109.54 2shp n GLY 407 Ca 0.19 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.91 2shp n GLY 407 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 2shp s GLN 408 N -0.62 1.29 0.53 1.61 -0.21 -0.51 -5.10 119.66 116.66 2shp s GLN 408 Ca 0.00 -1.88 -0.19 0.00 0.02 0.00 0.00 55.36 53.31 2shp s GLN 408 Cb 0.00 -2.53 -0.06 0.00 1.00 0.00 0.00 33.01 31.42 2shp s GLN 408 CO 0.00 -1.09 1.11 0.20 -2.12 0.00 0.00 175.29 173.39 2shp s GLY 409 N 0.61 2.59 -0.38 3.09 0.00 -1.26 -3.34 107.32 108.62 2shp s GLY 409 Ca 0.15 0.76 0.00 0.00 0.00 0.00 0.00 44.72 45.63 2shp s GLY 409 CO -0.06 1.11 0.00 0.70 0.00 0.00 0.00 173.10 174.84 2shp n ASN 410 N -1.26 -3.32 -0.66 1.64 3.02 -1.26 -4.85 115.26 108.58 2shp n ASN 410 Ca 0.11 0.08 0.07 0.00 -0.03 0.00 0.00 54.58 54.82 2shp n ASN 410 Cb 0.51 -1.27 0.10 0.00 -0.61 0.00 0.00 39.78 38.51 2shp n ASN 410 CO 0.00 0.00 0.00 0.35 -2.62 0.00 0.00 177.26 174.99 2shp n THR 411 N -2.98 0.24 -2.05 3.41 -2.24 -1.21 -5.05 114.28 104.40 2shp n THR 411 Ca -0.04 -0.62 -0.41 0.00 -2.27 0.00 0.00 64.05 60.71 2shp n THR 411 Cb 0.15 1.12 -0.02 0.00 -2.10 0.00 0.00 70.33 69.48 2shp n THR 411 CO 0.00 0.00 0.00 -0.70 -0.57 0.00 0.00 175.07 173.80 2shp s GLU 412 N -1.18 4.29 0.03 -0.78 2.12 -1.26 -4.55 118.70 117.37 2shp s GLU 412 Ca 0.21 2.26 -0.08 0.00 0.36 0.00 0.00 54.97 57.72 2shp s GLU 412 Cb 0.13 -3.12 -0.00 0.00 0.26 0.00 0.00 34.13 31.41 2shp s GLU 412 CO 0.19 -0.38 0.15 -0.98 -0.54 0.00 0.00 175.26 173.71 2shp s ARG 413 N -0.50 0.61 0.03 4.30 3.03 -0.13 -4.98 118.95 121.31 2shp s ARG 413 Ca 0.58 -0.61 -0.27 0.00 2.03 0.00 0.00 55.73 57.46 2shp s ARG 413 Cb -0.41 0.25 -0.05 0.00 -1.03 0.00 0.00 34.95 33.71 2shp s ARG 413 CO 0.44 -0.16 0.83 0.99 -1.13 0.00 0.00 175.30 176.27 2shp s THR 414 N -2.28 4.76 -0.13 4.99 2.01 -1.26 -0.52 115.64 123.21 2shp s THR 414 Ca -0.08 1.77 0.02 0.00 0.31 0.00 0.00 61.69 63.71 2shp s THR 414 Cb -0.03 -4.18 0.00 0.00 0.01 0.00 0.00 72.50 68.30 2shp s THR 414 CO -0.03 0.30 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.31 2shp s VAL 415 N 0.28 2.27 -0.41 3.82 1.01 0.13 -4.73 120.40 122.78 2shp s VAL 415 Ca 0.42 -0.92 -0.14 0.00 0.00 0.00 0.00 61.98 61.34 2shp s VAL 415 Cb -0.21 -1.91 0.03 0.00 0.00 0.00 0.00 36.38 34.29 2shp s VAL 415 CO 0.24 0.54 0.29 0.26 0.00 0.00 0.00 175.10 176.44 2shp s TRP 416 N 0.66 3.24 -0.42 5.22 0.52 -0.27 -0.86 118.94 127.03 2shp s TRP 416 Ca -0.10 -0.69 -0.19 0.00 0.02 0.00 0.00 56.10 55.14 2shp s TRP 416 Cb -0.16 -2.60 0.02 0.00 -1.15 0.00 0.00 33.47 29.58 2shp s TRP 416 CO 0.02 -0.62 0.57 -1.14 0.02 0.00 0.00 176.95 175.80 2shp s GLN 417 N 1.65 3.28 -0.55 4.98 0.74 -0.26 -1.14 119.66 128.35 2shp s GLN 417 Ca 0.04 -0.44 -0.20 0.00 0.05 0.00 0.00 55.36 54.81 2shp s GLN 417 Cb -0.19 -3.94 0.07 0.00 1.10 0.00 0.00 33.01 30.05 2shp s GLN 417 CO 0.09 -0.92 0.72 0.71 -0.55 0.00 0.00 175.29 175.34 2shp s TYR 418 N 2.58 2.97 -0.61 1.67 1.51 0.69 -0.94 117.35 125.22 2shp s TYR 418 Ca 0.19 -0.61 -0.17 0.00 -1.01 0.00 0.00 57.07 55.47 2shp s TYR 418 Cb -0.15 -3.81 0.13 0.00 -0.11 0.00 0.00 41.96 38.02 2shp s TYR 418 CO 0.17 -1.21 0.62 -1.58 -1.11 0.00 0.00 175.55 172.44 2shp s HIS 419 N 2.93 3.23 -0.12 2.71 2.46 0.31 -1.29 115.29 125.52 2shp s HIS 419 Ca 0.16 -1.28 -0.29 0.00 0.47 0.00 0.00 55.06 54.11 2shp s HIS 419 Cb -0.20 -3.89 -0.02 0.00 -0.13 0.00 0.00 32.58 28.34 2shp s HIS 419 CO 0.11 -1.12 1.29 0.12 -2.47 0.00 0.00 174.74 172.67 2shp s PHE 420 N 1.79 2.84 -0.05 3.88 5.36 0.79 -1.05 117.98 131.54 2shp s PHE 420 Ca 0.09 0.96 0.15 0.00 -0.96 0.00 0.00 56.93 57.17 2shp s PHE 420 Cb -0.25 -3.54 -0.23 0.00 -0.34 0.00 0.00 43.02 38.66 2shp s PHE 420 CO 0.02 -1.87 0.29 0.54 -1.46 0.00 0.00 175.22 172.74 2shp n ARG 421 N 6.28 0.71 -0.68 10.12 1.74 0.22 -3.24 116.66 131.81 2shp n ARG 421 Ca 0.14 -0.12 0.09 0.00 -0.77 0.00 0.00 57.85 57.18 2shp n ARG 421 Cb 0.45 -1.38 0.36 0.00 -1.02 0.00 0.00 32.46 30.87 2shp n ARG 421 CO 0.00 0.00 0.00 0.25 -1.52 0.00 0.00 177.63 176.36 2shp n THR 422 N -2.16 2.14 -1.76 0.55 -2.24 -1.20 -4.71 114.28 104.91 2shp n THR 422 Ca -0.07 -1.31 -0.42 0.00 -2.27 0.00 0.00 64.05 59.97 2shp n THR 422 Cb 0.53 -0.02 -0.03 0.00 -2.10 0.00 0.00 70.33 68.72 2shp n THR 422 CO 0.00 0.00 0.00 0.86 -0.57 0.00 0.00 175.07 175.36 2shp s TRP 423 N -2.19 2.25 0.87 4.78 -0.11 -1.26 -4.91 118.94 118.37 2shp s TRP 423 Ca 0.51 0.07 -0.11 0.00 1.22 0.00 0.00 56.10 57.79 2shp s TRP 423 Cb 0.35 -4.13 0.11 0.00 -1.50 0.00 0.00 33.47 28.31 2shp s TRP 423 CO 0.21 -4.62 1.10 -1.25 -4.62 0.00 0.00 176.95 167.76 2shp s PRO 424 N 2.61 1.46 0.20 5.86 0.04 -1.26 -4.97 135.00 138.94 2shp s PRO 424 Ca 0.79 1.16 -0.02 0.00 0.04 0.00 0.00 61.00 62.98 2shp s PRO 424 Cb -0.45 -1.81 0.15 0.00 0.04 0.00 0.00 34.50 32.44 2shp s PRO 424 CO 0.35 -2.20 1.53 -0.44 0.04 0.00 0.00 177.00 176.28 2shp h ASP 425 N -1.54 0.56 -3.33 6.66 3.32 -1.98 -3.42 116.42 116.70 2shp h ASP 425 Ca -0.46 -0.29 -0.62 0.00 0.02 0.00 0.00 57.03 55.67 2shp h ASP 425 Cb 1.26 -0.16 -0.17 0.00 0.22 0.00 0.00 39.33 40.48 2shp h ASP 425 CO 0.49 0.99 -0.58 -1.00 -1.72 0.00 0.00 179.24 177.42 2shp s HIS 426 N -4.01 3.20 0.00 4.55 3.76 -1.26 -5.04 115.29 116.48 2shp s HIS 426 Ca -0.07 -0.03 0.00 0.00 -0.15 0.00 0.00 55.06 54.81 2shp s HIS 426 Cb 0.12 -2.08 0.00 0.00 1.11 0.00 0.00 32.58 31.73 2shp s HIS 426 CO 0.83 0.08 0.00 0.41 -0.85 0.00 0.00 174.74 175.21 2shp n GLY 427 N 3.67 0.62 3.43 -2.22 0.00 -1.26 -4.89 105.19 104.53 2shp n GLY 427 Ca -0.17 -0.86 -0.21 0.00 0.00 0.00 0.00 46.02 44.78 2shp n GLY 427 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 2shp s VAL 428 N 0.00 1.72 0.23 1.61 -7.23 -1.26 -4.70 120.40 110.76 2shp s VAL 428 Ca 0.00 -2.15 -0.29 0.00 -1.81 0.00 0.00 61.98 57.74 2shp s VAL 428 Cb 0.00 -2.42 -0.16 0.00 0.56 0.00 0.00 36.38 34.37 2shp s VAL 428 CO 0.00 -0.33 0.80 -2.65 -0.31 0.00 0.00 175.10 172.62 2shp n PRO 429 N -0.58 0.69 -0.13 4.82 -0.02 -1.26 -4.82 135.00 133.70 2shp n PRO 429 Ca -0.06 0.24 0.08 0.00 -2.02 0.00 0.00 63.50 61.75 2shp n PRO 429 Cb 0.63 -1.46 0.15 0.00 -0.02 0.00 0.00 33.50 32.80 2shp n PRO 429 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2shp n SER 430 N 1.64 2.89 -3.94 2.55 3.41 -1.26 -4.85 113.62 114.06 2shp n SER 430 Ca 0.14 -1.85 -0.31 0.00 -0.26 0.00 0.00 58.87 56.60 2shp n SER 430 Cb 0.28 -0.17 -0.15 0.00 -0.26 0.00 0.00 64.21 63.90 2shp n SER 430 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 2shp s ASP 431 N -1.20 4.36 0.52 4.04 2.15 -1.26 -4.98 116.67 120.30 2shp s ASP 431 Ca 0.27 -1.75 0.34 0.00 0.43 0.00 0.00 52.55 51.84 2shp s ASP 431 Cb 0.16 -1.34 1.62 0.00 -0.30 0.00 0.00 42.92 43.06 2shp s ASP 431 CO 0.22 -0.34 2.03 1.55 -0.17 0.00 0.00 175.17 178.46 2shp h PRO 432 N 7.82 0.00 0.48 4.34 0.14 -1.95 -2.96 132.00 139.86 2shp h PRO 432 Ca -0.11 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 66.02 2shp h PRO 432 Cb 1.03 0.00 -0.00 0.00 0.14 0.00 0.00 31.00 32.17 2shp h PRO 432 CO 0.48 0.00 -0.29 0.78 0.14 0.00 0.00 178.00 179.11 2shp h GLY 433 N 1.24 -0.76 1.52 1.56 0.00 -1.99 -0.63 103.07 104.01 2shp h GLY 433 Ca 0.00 0.32 -0.14 0.00 0.00 0.00 0.00 47.33 47.50 2shp h GLY 433 CO 0.00 -0.28 -0.48 -1.33 0.00 0.00 0.00 176.54 174.45 2shp h GLY 434 N -0.72 0.57 1.00 4.60 0.00 -1.95 -0.15 103.07 106.41 2shp h GLY 434 Ca -0.06 -0.61 0.00 0.00 0.00 0.00 0.00 47.33 46.66 2shp h GLY 434 CO 0.06 0.55 0.37 -2.08 0.00 0.00 0.00 176.54 175.44 2shp h VAL 435 N 0.42 1.15 0.00 4.60 2.07 -1.57 -0.85 116.25 122.07 2shp h VAL 435 Ca 0.02 -0.28 -0.18 0.00 0.82 0.00 0.00 66.70 67.08 2shp h VAL 435 Cb 0.99 0.33 -0.03 0.00 -1.52 0.00 0.00 31.29 31.06 2shp h VAL 435 CO 0.09 0.14 -0.87 -0.07 0.02 0.00 0.00 177.57 176.88 2shp h LEU 436 N 0.76 0.00 0.24 2.57 3.38 -0.84 -0.61 115.31 120.80 2shp h LEU 436 Ca 0.21 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 58.16 2shp h LEU 436 Cb -0.08 0.00 0.00 0.00 0.09 0.00 0.00 40.66 40.67 2shp h LEU 436 CO -0.04 0.87 -0.11 0.44 0.09 0.00 0.00 178.44 179.68 2shp h ASP 437 N 0.00 -0.27 -0.16 -0.43 5.19 -0.90 0.17 116.42 120.02 2shp h ASP 437 Ca -0.01 0.00 0.04 0.00 -0.62 0.00 0.00 57.03 56.44 2shp h ASP 437 Cb 1.55 0.07 -0.04 0.00 0.18 0.00 0.00 39.33 41.10 2shp h ASP 437 CO 0.11 -0.18 -0.06 0.15 -3.12 0.00 0.00 179.24 176.14 2shp h PHE 438 N -0.33 -0.14 -0.57 4.55 3.57 -1.10 -1.30 116.94 121.62 2shp h PHE 438 Ca -0.03 0.02 0.04 0.00 3.53 0.00 0.00 57.97 61.52 2shp h PHE 438 Cb 0.25 0.09 -0.04 0.00 2.79 0.00 0.00 35.95 39.04 2shp h PHE 438 CO -0.06 -0.10 0.32 1.25 -2.23 0.00 0.00 178.31 177.49 2shp h LEU 439 N -0.03 0.49 -0.83 0.59 6.46 -1.02 -1.21 115.31 119.75 2shp h LEU 439 Ca 0.09 0.02 -0.01 0.00 -0.12 0.00 0.00 57.88 57.85 2shp h LEU 439 Cb 0.16 -0.08 -0.04 0.00 -0.73 0.00 0.00 40.66 39.97 2shp h LEU 439 CO -0.19 0.34 0.46 -0.08 -0.62 0.00 0.00 178.44 178.35 2shp h GLU 440 N 0.62 1.16 -0.01 1.25 4.57 -0.77 -0.55 114.58 120.85 2shp h GLU 440 Ca 0.24 -0.13 -0.00 0.00 -1.18 0.00 0.00 59.36 58.29 2shp h GLU 440 Cb 0.10 -0.23 -0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2shp h GLU 440 CO -0.14 0.85 0.01 1.49 -1.18 0.00 0.00 179.01 180.03 2shp h GLU 441 N 1.16 0.02 -0.88 1.92 4.57 -0.70 -1.28 114.58 119.39 2shp h GLU 441 Ca 0.29 -0.00 0.02 0.00 -1.18 0.00 0.00 59.36 58.49 2shp h GLU 441 Cb 0.02 -0.00 -0.05 0.00 -0.16 0.00 0.00 28.75 28.56 2shp h GLU 441 CO -0.05 0.13 0.58 0.28 -1.18 0.00 0.00 179.01 178.77 2shp h VAL 442 N -0.10 1.20 -0.24 0.32 2.07 -1.10 -0.54 116.25 117.86 2shp h VAL 442 Ca 0.00 -0.40 -0.00 0.00 0.82 0.00 0.00 66.70 67.12 2shp h VAL 442 Cb 0.12 -0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 29.81 2shp h VAL 442 CO -0.00 0.21 0.13 -0.74 0.02 0.00 0.00 177.57 177.19 2shp h HIS 443 N 1.16 0.32 -0.05 1.57 -0.00 -0.98 -2.23 115.15 114.94 2shp h HIS 443 Ca 0.33 -0.01 -0.14 0.00 -0.00 0.00 0.00 60.37 60.56 2shp h HIS 443 Cb -0.09 -0.10 -0.01 0.00 -0.00 0.00 0.00 27.41 27.21 2shp h HIS 443 CO -0.01 0.27 -0.59 0.45 -0.00 0.00 0.00 177.93 178.05 2shp h HIS 444 N 0.28 0.21 0.07 5.26 -0.00 -0.42 -1.84 115.15 118.71 2shp h HIS 444 Ca 0.08 -0.08 0.00 0.00 -0.00 0.00 0.00 60.37 60.38 2shp h HIS 444 Cb 0.06 -0.04 -0.01 0.00 -0.00 0.00 0.00 27.41 27.42 2shp h HIS 444 CO -0.04 0.71 -0.07 -0.22 -0.00 0.00 0.00 177.93 178.31 2shp h LYS 445 N 0.12 -0.15 -0.66 2.45 1.63 -0.93 -2.01 116.57 117.02 2shp h LYS 445 Ca -0.00 0.01 0.03 0.00 -0.85 0.00 0.00 60.65 59.84 2shp h LYS 445 Cb 1.07 0.03 -0.04 0.00 -0.60 0.00 0.00 32.23 32.69 2shp h LYS 445 CO 0.09 -0.10 0.41 0.37 -3.45 0.00 0.00 179.45 176.76 2shp h GLN 446 N -0.16 0.77 -0.03 1.90 5.75 -1.26 -2.66 115.11 119.43 2shp h GLN 446 Ca 0.01 -0.05 -0.07 0.00 -0.15 0.00 0.00 58.65 58.39 2shp h GLN 446 Cb 0.16 -0.17 -0.01 0.00 1.07 0.00 0.00 27.48 28.52 2shp h GLN 446 CO -0.03 0.51 -0.33 1.49 -2.65 0.00 0.00 178.83 177.83 2shp h GLU 447 N 0.79 0.05 0.00 1.69 4.81 -1.22 -2.73 114.58 117.97 2shp h GLU 447 Ca 0.27 -0.02 0.00 0.00 -0.13 0.00 0.00 59.36 59.48 2shp h GLU 447 Cb 0.04 -0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.41 2shp h GLU 447 CO -0.11 0.37 0.00 -1.13 -0.73 0.00 0.00 179.01 177.41 2shp n SER 448 N -4.14 0.02 -4.39 1.04 3.41 -0.77 -4.72 113.62 104.09 2shp n SER 448 Ca -0.02 0.50 -0.40 0.00 -0.26 0.00 0.00 58.87 58.70 2shp n SER 448 Cb 0.38 -0.51 -0.11 0.00 -0.26 0.00 0.00 64.21 63.71 2shp n SER 448 CO 0.00 0.00 0.00 -0.63 -0.16 0.00 0.00 175.04 174.25 2shp s ILE 449 N -3.01 4.53 0.09 -1.33 1.01 -1.03 -5.06 121.20 116.42 2shp s ILE 449 Ca 0.11 -0.76 -0.32 0.00 0.00 0.00 0.00 60.65 59.68 2shp s ILE 449 Cb 0.15 -3.48 -0.11 0.00 0.01 0.00 0.00 42.46 39.03 2shp s ILE 449 CO 0.42 -0.16 1.84 1.15 0.00 0.00 0.00 174.94 178.20 2shp n MET 450 N 4.98 2.70 -1.59 2.79 -0.00 -1.26 -2.86 117.12 121.89 2shp n MET 450 Ca -0.12 0.98 -0.15 0.00 -0.00 0.00 0.00 57.70 58.41 2shp n MET 450 Cb 0.47 -2.87 -0.05 0.00 -0.00 0.00 0.00 33.22 30.76 2shp n MET 450 CO 0.00 0.00 0.00 -0.25 0.00 0.00 0.00 175.97 175.72 2shp n ASP 451 N 5.82 -4.74 -4.74 3.17 8.00 -1.26 -4.97 116.55 117.83 2shp n ASP 451 Ca 0.19 0.30 -0.42 0.00 0.71 0.00 0.00 54.79 55.56 2shp n ASP 451 Cb 0.36 -3.62 -0.01 0.00 -0.02 0.00 0.00 41.12 37.84 2shp n ASP 451 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2shp n ALA 452 N 0.71 1.96 -1.29 2.24 0.00 -1.13 -5.00 120.51 118.00 2shp n ALA 452 Ca -0.15 0.36 0.00 0.00 0.00 0.00 0.00 53.44 53.64 2shp n ALA 452 Cb 0.52 -2.36 0.00 0.00 0.00 0.00 0.00 19.45 17.61 2shp n ALA 452 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 2shp n GLY 453 N 0.84 -0.36 3.51 0.00 0.00 0.73 -4.96 105.19 104.95 2shp n GLY 453 Ca 0.04 -1.73 -0.40 0.00 0.00 0.00 0.00 46.02 43.92 2shp n GLY 453 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 2shp n PRO 454 N -0.47 0.80 -2.53 1.61 -0.02 -1.26 -4.51 135.00 128.63 2shp n PRO 454 Ca 0.00 0.29 -0.43 0.00 -2.02 0.00 0.00 63.50 61.35 2shp n PRO 454 Cb 0.00 -1.76 -0.02 0.00 -0.02 0.00 0.00 33.50 31.70 2shp n PRO 454 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 2shp s VAL 455 N -1.48 4.38 -0.04 -1.45 1.01 -0.34 -4.28 120.40 118.20 2shp s VAL 455 Ca 0.66 1.61 -0.30 0.00 0.00 0.00 0.00 61.98 63.95 2shp s VAL 455 Cb -0.54 -4.22 -0.03 0.00 0.00 0.00 0.00 36.38 31.59 2shp s VAL 455 CO 0.56 -0.34 1.07 -0.69 0.00 0.00 0.00 175.10 175.70 2shp s VAL 456 N 3.75 4.58 -0.05 2.92 1.01 -0.56 -1.56 120.40 130.48 2shp s VAL 456 Ca 0.51 1.86 0.04 0.00 0.00 0.00 0.00 61.98 64.39 2shp s VAL 456 Cb -0.16 -4.20 -0.00 0.00 0.00 0.00 0.00 36.38 32.02 2shp s VAL 456 CO 0.16 0.06 -0.17 -0.69 0.00 0.00 0.00 175.10 174.46 2shp s VAL 457 N 1.64 1.43 0.05 2.92 1.01 0.16 0.48 120.40 128.09 2shp s VAL 457 Ca 0.53 -0.70 -0.12 0.00 0.00 0.00 0.00 61.98 61.68 2shp s VAL 457 Cb -0.22 -1.24 0.01 0.00 0.00 0.00 0.00 36.38 34.94 2shp s VAL 457 CO 0.23 0.41 0.27 -1.38 0.00 0.00 0.00 175.10 174.64 2shp s HIS 458 N 0.14 -0.04 0.00 5.22 -3.43 -0.33 -1.08 115.29 115.77 2shp s HIS 458 Ca -0.06 -0.16 0.00 0.00 -0.80 0.00 0.00 55.06 54.04 2shp s HIS 458 Cb -0.12 0.06 0.00 0.00 -1.43 0.00 0.00 32.58 31.08 2shp s HIS 458 CO 0.03 -0.50 0.00 0.00 -2.00 0.00 0.00 174.74 172.26 2shp n SER 460 N 0.00 0.00 0.18 0.00 3.41 -1.26 -1.41 113.62 114.54 2shp n SER 460 Ca 0.00 0.20 0.13 0.00 -0.26 0.00 0.00 58.87 58.94 2shp n SER 460 Cb 0.00 -0.27 0.32 0.00 -0.26 0.00 0.00 64.21 64.00 2shp n SER 460 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2shp h ALA 461 N -2.00 1.00 0.00 7.33 0.00 -1.89 -1.81 119.26 121.89 2shp h ALA 461 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 54.91 54.91 2shp h ALA 461 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17.79 17.79 2shp h ALA 461 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 179.25 179.66 2shp n GLY 462 N 0.99 0.58 0.00 0.00 0.00 -1.25 -4.30 105.19 101.21 2shp n GLY 462 Ca 0.04 -0.81 0.00 0.00 0.00 0.00 0.00 46.02 45.25 2shp n GLY 462 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 2shp n ILE 463 N -3.02 0.00 0.00 -0.61 -5.35 -1.26 -4.42 119.36 104.70 2shp n ILE 463 Ca 0.00 0.00 0.00 0.00 -0.27 0.00 0.00 62.75 62.48 2shp n ILE 463 Cb 0.15 -0.35 0.00 0.00 -1.74 0.00 0.00 39.64 37.70 2shp n ILE 463 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 2shp n GLY 464 N 1.73 1.79 0.31 3.28 0.00 -1.26 -1.39 105.19 109.65 2shp n GLY 464 Ca 0.00 0.00 -0.00 0.00 0.00 0.00 0.00 46.02 46.02 2shp n GLY 464 CO 0.00 0.00 0.00 3.21 0.00 0.00 0.00 173.32 176.53 2shp h ARG 465 N 0.00 0.90 -0.20 1.61 3.08 -1.94 -1.33 114.38 116.51 2shp h ARG 465 Ca 0.00 -0.05 0.02 0.00 0.07 0.00 0.00 59.98 60.02 2shp h ARG 465 Cb 0.00 -0.20 -0.02 0.00 0.08 0.00 0.00 29.97 29.83 2shp h ARG 465 CO 0.00 0.59 0.06 1.15 -1.07 0.00 0.00 179.97 180.71 2shp h THR 466 N 0.92 0.94 -0.45 2.04 2.02 -1.85 -1.18 112.91 115.35 2shp h THR 466 Ca 0.35 -0.05 -0.07 0.00 0.77 0.00 0.00 66.41 67.41 2shp h THR 466 Cb 0.14 0.77 -0.02 0.00 -1.74 0.00 0.00 68.15 67.31 2shp h THR 466 CO -0.16 0.03 0.00 1.23 0.37 0.00 0.00 175.52 176.98 2shp h GLY 467 N 0.15 0.80 0.78 2.16 0.00 -1.04 -2.32 103.07 103.61 2shp h GLY 467 Ca 0.09 -0.52 -0.00 0.00 0.00 0.00 0.00 47.33 46.89 2shp h GLY 467 CO -0.10 0.49 -0.02 -0.84 0.00 0.00 0.00 176.54 176.07 2shp h THR 468 N 0.70 1.11 0.17 4.70 2.02 -0.90 -1.64 112.91 119.07 2shp h THR 468 Ca 0.14 -0.49 0.02 0.00 0.77 0.00 0.00 66.41 66.84 2shp h THR 468 Cb 0.43 1.44 -0.04 0.00 -1.74 0.00 0.00 68.15 68.24 2shp h THR 468 CO 0.02 0.13 -0.39 0.15 0.37 0.00 0.00 175.52 175.79 2shp h PHE 469 N -0.28 -1.09 -0.58 3.16 3.57 -1.26 -2.05 116.94 118.42 2shp h PHE 469 Ca -0.01 0.02 0.07 0.00 3.53 0.00 0.00 57.97 61.59 2shp h PHE 469 Cb 0.25 0.46 -0.06 0.00 2.79 0.00 0.00 35.95 39.39 2shp h PHE 469 CO -0.00 -0.50 0.27 0.82 -2.23 0.00 0.00 178.31 176.66 2shp h ILE 470 N -0.66 0.88 -0.20 1.41 2.04 -1.38 -0.20 117.51 119.40 2shp h ILE 470 Ca 0.01 -0.17 -0.01 0.00 1.00 0.00 0.00 64.86 65.69 2shp h ILE 470 Cb 0.67 0.34 -0.01 0.00 -0.74 0.00 0.00 36.82 37.08 2shp h ILE 470 CO -0.20 0.09 0.07 0.58 0.00 0.00 0.00 178.15 178.69 2shp h VAL 471 N 0.49 1.18 -0.37 1.67 2.07 -1.16 0.76 116.25 120.89 2shp h VAL 471 Ca 0.27 -0.54 0.07 0.00 0.82 0.00 0.00 66.70 67.32 2shp h VAL 471 Cb 0.25 1.17 -0.07 0.00 -1.52 0.00 0.00 31.29 31.12 2shp h VAL 471 CO -0.23 0.17 -0.07 0.40 0.02 0.00 0.00 177.57 177.86 2shp h ILE 472 N 0.15 0.65 -0.51 4.57 2.04 -1.12 -1.33 117.51 121.96 2shp h ILE 472 Ca 0.06 -0.01 -0.01 0.00 1.00 0.00 0.00 64.86 65.91 2shp h ILE 472 Cb 0.20 0.63 -0.03 0.00 -0.74 0.00 0.00 36.82 36.89 2shp h ILE 472 CO -0.00 0.00 0.27 -0.78 0.00 0.00 0.00 178.15 177.64 2shp h ASP 473 N 0.02 0.63 -0.07 1.72 3.58 -0.50 -0.08 116.42 121.72 2shp h ASP 473 Ca 0.18 -0.04 -0.01 0.00 0.42 0.00 0.00 57.03 57.57 2shp h ASP 473 Cb 0.27 -0.16 -0.00 0.00 1.72 0.00 0.00 39.33 41.16 2shp h ASP 473 CO -0.36 0.51 -0.02 0.40 -2.88 0.00 0.00 179.24 176.89 2shp h ILE 474 N 0.71 1.29 -0.41 2.25 2.04 -0.18 -0.78 117.51 122.44 2shp h ILE 474 Ca 0.18 -0.92 -0.00 0.00 1.00 0.00 0.00 64.86 65.12 2shp h ILE 474 Cb 0.03 1.78 -0.02 0.00 -0.74 0.00 0.00 36.82 37.87 2shp h ILE 474 CO -0.03 0.25 0.25 -0.07 0.00 0.00 0.00 178.15 178.55 2shp h LEU 475 N -0.21 0.49 -1.23 1.44 3.38 -0.85 -1.40 115.31 116.93 2shp h LEU 475 Ca 0.02 -0.05 -0.07 0.00 0.09 0.00 0.00 57.88 57.87 2shp h LEU 475 Cb 0.41 -0.12 -0.01 0.00 0.09 0.00 0.00 40.66 41.03 2shp h LEU 475 CO 0.01 0.40 -0.22 0.40 0.09 0.00 0.00 178.44 179.12 2shp h ILE 476 N 0.54 1.22 -0.36 1.22 2.04 -1.07 -1.73 117.51 119.38 2shp h ILE 476 Ca 0.15 -1.04 -0.04 0.00 1.00 0.00 0.00 64.86 64.93 2shp h ILE 476 Cb -0.00 1.35 -0.02 0.00 -0.74 0.00 0.00 36.82 37.41 2shp h ILE 476 CO -0.03 0.32 0.04 0.44 0.00 0.00 0.00 178.15 178.92 2shp h ASP 477 N 0.24 0.50 -0.09 1.72 5.19 -0.54 0.18 116.42 123.62 2shp h ASP 477 Ca 0.04 -0.08 -0.01 0.00 -0.62 0.00 0.00 57.03 56.36 2shp h ASP 477 Cb 0.52 -0.13 -0.00 0.00 0.18 0.00 0.00 39.33 39.90 2shp h ASP 477 CO 0.04 0.54 0.01 0.40 -3.12 0.00 0.00 179.24 177.10 2shp h ILE 478 N 0.52 1.24 0.05 0.35 2.04 -0.41 -2.72 117.51 118.57 2shp h ILE 478 Ca 0.12 -0.74 -0.00 0.00 1.00 0.00 0.00 64.86 65.23 2shp h ILE 478 Cb 0.28 1.57 0.00 0.00 -0.74 0.00 0.00 36.82 37.93 2shp h ILE 478 CO 0.00 0.21 -0.02 0.40 0.00 0.00 0.00 178.15 178.74 2shp h ILE 479 N -0.12 0.98 -0.04 -0.67 2.04 -1.28 0.36 117.51 118.79 2shp h ILE 479 Ca 0.02 -0.08 0.01 0.00 1.00 0.00 0.00 64.86 65.82 2shp h ILE 479 Cb 0.32 1.03 -0.00 0.00 -0.74 0.00 0.00 36.82 37.43 2shp h ILE 479 CO 0.00 0.02 0.06 0.08 0.00 0.00 0.00 178.15 178.31 2shp h ARG 480 N -0.10 0.00 0.02 2.37 0.11 -1.00 0.25 114.38 116.03 2shp h ARG 480 Ca -0.01 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.69 2shp h ARG 480 Cb 0.08 0.00 -0.05 0.00 1.11 0.00 0.00 29.97 31.11 2shp h ARG 480 CO 0.01 0.00 -2.15 -1.91 0.10 0.00 0.00 179.97 176.02 2shp n GLU 481 N -3.64 0.62 -0.14 0.08 0.00 -1.03 -4.44 120.64 112.09 2shp n GLU 481 Ca -0.02 0.32 0.10 0.00 0.00 0.00 0.00 57.16 57.56 2shp n GLU 481 Cb 0.15 -1.59 0.29 0.00 0.00 0.00 0.00 31.44 30.29 2shp n GLU 481 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.13 178.76 2shp n LYS 482 N -3.99 2.00 -0.29 5.31 4.76 0.10 -5.06 118.16 121.00 2shp n LYS 482 Ca -0.45 -1.52 0.04 0.00 -2.87 0.00 0.00 58.31 53.51 2shp n LYS 482 Cb 0.88 -1.42 -0.01 0.00 -1.84 0.00 0.00 35.03 32.64 2shp n LYS 482 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 2shp n GLY 483 N 1.25 -2.04 0.00 0.72 0.00 0.85 -4.33 105.19 101.64 2shp n GLY 483 Ca 0.17 -1.42 0.06 0.00 0.00 0.00 0.00 46.02 44.82 2shp n GLY 483 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2shp n VAL 484 N -2.78 1.02 1.39 1.61 3.14 -1.26 -2.85 118.33 118.59 2shp n VAL 484 Ca -0.01 0.25 0.14 0.00 -2.96 0.00 0.00 64.34 61.77 2shp n VAL 484 Cb 0.14 -1.05 0.53 0.00 -1.06 0.00 0.00 33.84 32.39 2shp n VAL 484 CO 0.00 0.00 0.00 0.47 -6.46 0.00 0.00 176.83 170.84 2shp n ASP 485 N -1.43 0.77 -4.81 6.55 8.00 -1.26 -1.48 116.55 122.90 2shp n ASP 485 Ca 0.04 -0.82 -0.31 0.00 0.71 0.00 0.00 54.79 54.41 2shp n ASP 485 Cb 0.12 0.01 0.06 0.00 -0.02 0.00 0.00 41.12 41.30 2shp n ASP 485 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 2shp s ASP 487 N -3.74 7.35 0.09 0.00 1.01 -1.26 -0.43 116.67 119.70 2shp s ASP 487 Ca 0.59 1.61 0.06 0.00 0.71 0.00 0.00 52.55 55.51 2shp s ASP 487 Cb -0.15 -2.50 -0.03 0.00 1.01 0.00 0.00 42.92 41.26 2shp s ASP 487 CO 0.55 0.15 -0.14 0.27 0.21 0.00 0.00 175.17 176.21 2shp s ILE 488 N -0.84 1.22 -0.28 0.77 -4.36 -0.28 -4.88 121.20 112.55 2shp s ILE 488 Ca 0.37 -1.48 -0.03 0.00 -0.26 0.00 0.00 60.65 59.25 2shp s ILE 488 Cb -0.23 -1.28 0.09 0.00 1.25 0.00 0.00 42.46 42.30 2shp s ILE 488 CO 0.26 -0.29 0.11 -0.62 0.24 0.00 0.00 174.94 174.63 2shp s ASP 489 N -2.03 3.63 0.03 4.36 -1.08 -1.26 -1.07 116.67 119.25 2shp s ASP 489 Ca 0.03 -1.36 -0.26 0.00 -0.52 0.00 0.00 52.55 50.44 2shp s ASP 489 Cb -0.08 -0.58 -0.17 0.00 -1.46 0.00 0.00 42.92 40.63 2shp s ASP 489 CO 0.03 -0.41 1.40 0.58 0.52 0.00 0.00 175.17 177.28 2shp h VAL 490 N 6.45 0.87 -0.70 1.11 2.07 -1.99 -1.53 116.25 122.53 2shp h VAL 490 Ca -0.17 -0.51 0.05 0.00 0.82 0.00 0.00 66.70 66.89 2shp h VAL 490 Cb 1.03 1.17 -0.05 0.00 -1.52 0.00 0.00 31.29 31.92 2shp h VAL 490 CO 0.44 0.11 0.41 -0.65 0.02 0.00 0.00 177.57 177.91 2shp h PRO 491 N -0.54 0.76 -0.74 1.57 0.11 -1.94 -1.55 132.00 129.66 2shp h PRO 491 Ca -0.03 -0.05 -0.01 0.00 0.11 0.00 0.00 66.00 66.02 2shp h PRO 491 Cb 0.40 -0.17 -0.03 0.00 0.11 0.00 0.00 31.00 31.31 2shp h PRO 491 CO 0.05 0.50 0.41 -0.22 -0.21 0.00 0.00 178.00 178.53 2shp h LYS 492 N 0.78 1.02 -0.73 1.05 3.64 -1.97 -0.63 116.57 119.75 2shp h LYS 492 Ca 0.30 -0.11 -0.07 0.00 -1.27 0.00 0.00 60.65 59.50 2shp h LYS 492 Cb 0.11 -0.20 -0.03 0.00 -0.41 0.00 0.00 32.23 31.70 2shp h LYS 492 CO -0.15 0.76 0.20 1.15 -2.27 0.00 0.00 179.45 179.14 2shp h THR 493 N 1.02 1.26 -0.07 1.00 2.02 -0.88 -1.03 112.91 116.23 2shp h THR 493 Ca 0.26 -0.95 -0.01 0.00 0.77 0.00 0.00 66.41 66.48 2shp h THR 493 Cb 0.02 0.49 -0.00 0.00 -1.74 0.00 0.00 68.15 66.92 2shp h THR 493 CO -0.04 0.37 0.02 0.40 0.37 0.00 0.00 175.52 176.64 2shp h ILE 494 N 1.10 1.16 -0.97 3.11 2.04 -0.87 -1.82 117.51 121.26 2shp h ILE 494 Ca 0.23 -0.49 0.05 0.00 1.00 0.00 0.00 64.86 65.65 2shp h ILE 494 Cb 0.35 1.36 -0.06 0.00 -0.74 0.00 0.00 36.82 37.73 2shp h ILE 494 CO -0.00 0.14 0.63 -0.61 0.00 0.00 0.00 178.15 178.31 2shp h GLN 495 N -0.07 1.14 -0.77 2.37 5.75 -1.04 0.20 115.11 122.68 2shp h GLN 495 Ca 0.02 -0.07 -0.01 0.00 -0.15 0.00 0.00 58.65 58.44 2shp h GLN 495 Cb 0.20 -0.26 -0.04 0.00 1.07 0.00 0.00 27.48 28.46 2shp h GLN 495 CO -0.00 0.75 0.43 1.98 -2.65 0.00 0.00 178.83 179.34 2shp h MET 496 N 1.17 1.07 0.05 1.69 4.05 -0.98 -2.50 114.93 119.47 2shp h MET 496 Ca 0.41 -0.12 -0.25 0.00 -0.28 0.00 0.00 59.70 59.46 2shp h MET 496 Cb 0.11 -0.21 0.01 0.00 -0.80 0.00 0.00 31.60 30.70 2shp h MET 496 CO -0.15 0.78 -1.06 0.28 0.23 0.00 0.00 176.91 177.00 2shp h VAL 497 N 1.08 1.40 0.00 -5.77 2.07 -0.22 -3.17 116.25 111.65 2shp h VAL 497 Ca 0.27 -2.58 0.00 0.00 0.82 0.00 0.00 66.70 65.21 2shp h VAL 497 Cb 0.02 2.58 0.00 0.00 -1.52 0.00 0.00 31.29 32.37 2shp h VAL 497 CO -0.04 0.77 0.00 0.54 0.02 0.00 0.00 177.57 178.85 2shp n ARG 498 N -3.71 0.18 0.00 1.57 1.74 0.52 -0.70 116.66 116.27 2shp n ARG 498 Ca -0.08 0.48 0.15 0.00 -0.77 0.00 0.00 57.85 57.62 2shp n ARG 498 Cb 0.90 -1.90 0.70 0.00 -1.02 0.00 0.00 32.46 31.15 2shp n ARG 498 CO 0.00 0.00 0.00 -1.13 -1.52 0.00 0.00 177.63 174.98 2shp n SER 499 N -2.25 0.17 -0.00 0.55 3.41 -0.96 -3.79 113.62 110.75 2shp n SER 499 Ca 0.01 -0.30 0.04 0.00 -0.26 0.00 0.00 58.87 58.37 2shp n SER 499 Cb 0.18 -0.20 -0.06 0.00 -0.26 0.00 0.00 64.21 63.87 2shp n SER 499 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 2shp n GLN 500 N -1.18 0.56 -3.66 4.33 6.02 0.13 -5.00 117.38 118.59 2shp n GLN 500 Ca 0.14 -0.07 -0.14 0.00 -0.01 0.00 0.00 57.00 56.92 2shp n GLN 500 Cb 0.25 -1.18 -0.08 0.00 1.02 0.00 0.00 30.24 30.26 2shp n GLN 500 CO 0.00 0.00 0.00 0.50 -1.01 0.00 0.00 177.06 176.55 2shp s ARG 501 N -2.52 0.75 0.22 -1.09 3.52 -1.02 -4.63 118.95 114.18 2shp s ARG 501 Ca -0.03 0.89 -0.31 0.00 -0.13 0.00 0.00 55.73 56.16 2shp s ARG 501 Cb 0.05 0.37 -0.11 0.00 -1.56 0.00 0.00 34.95 33.70 2shp s ARG 501 CO 0.35 -0.09 1.56 -1.12 -0.81 0.00 0.00 175.30 175.19 2shp s SER 502 N 0.34 6.52 -1.28 -2.12 0.01 -1.26 -3.36 113.70 112.55 2shp s SER 502 Ca -0.00 2.74 0.00 0.00 1.31 0.00 0.00 55.95 60.00 2shp s SER 502 Cb -0.04 -2.61 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2shp s SER 502 CO 0.01 -0.84 0.00 0.61 0.41 0.00 0.00 173.24 173.43 2shp n GLY 503 N 3.01 0.93 3.68 3.44 0.00 -1.26 -4.84 105.19 110.15 2shp n GLY 503 Ca 0.11 -0.41 -0.43 0.00 0.00 0.00 0.00 46.02 45.29 2shp n GLY 503 CO 0.00 0.00 0.00 1.03 0.00 0.00 0.00 173.32 174.35 2shp n MET 504 N -2.51 2.69 -1.68 1.61 0.00 -1.21 -3.91 117.12 112.10 2shp n MET 504 Ca -0.13 0.98 0.00 0.00 0.00 0.00 0.00 57.70 58.55 2shp n MET 504 Cb 0.48 -2.88 0.00 0.00 0.00 0.00 0.00 33.22 30.81 2shp n MET 504 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 175.97 176.25 2shp n VAL 505 N 5.03 -8.82 -0.13 2.03 0.31 -0.49 -4.74 118.33 111.54 2shp n VAL 505 Ca 0.20 1.93 -0.21 0.00 -0.01 0.00 0.00 64.34 66.24 2shp n VAL 505 Cb 0.37 -4.61 -0.12 0.00 -0.91 0.00 0.00 33.84 28.57 2shp n VAL 505 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 2shp n GLN 506 N 1.10 0.64 -4.53 5.55 1.13 -1.25 -4.96 117.38 115.05 2shp n GLN 506 Ca 0.00 0.19 -0.27 0.00 -1.94 0.00 0.00 57.00 54.98 2shp n GLN 506 Cb 0.00 -1.52 -0.10 0.00 0.11 0.00 0.00 30.24 28.72 2shp n GLN 506 CO 0.00 0.00 0.00 0.95 -1.44 0.00 0.00 177.06 176.57 2shp s THR 507 N -2.52 2.09 0.17 5.09 -4.23 -1.26 -4.96 115.64 110.03 2shp s THR 507 Ca -0.35 -1.97 -0.06 0.00 -1.18 0.00 0.00 61.69 58.13 2shp s THR 507 Cb 0.10 -2.96 -0.06 0.00 1.34 0.00 0.00 72.50 70.92 2shp s THR 507 CO 0.58 -0.02 1.48 -0.08 -0.54 0.00 0.00 174.62 176.03 2shp h GLU 508 N 1.74 0.67 -0.73 3.99 4.22 -1.96 -1.64 114.58 120.86 2shp h GLU 508 Ca -0.44 -0.42 0.07 0.00 0.08 0.00 0.00 59.36 58.65 2shp h GLU 508 Cb 1.24 0.05 -0.06 0.00 0.50 0.00 0.00 28.75 30.48 2shp h GLU 508 CO 0.78 1.03 0.42 0.00 -2.18 0.00 0.00 179.01 179.06 2shp h ALA 509 N 0.88 1.00 -0.34 2.92 0.00 -1.99 0.79 119.26 122.52 2shp h ALA 509 Ca 0.01 0.02 -0.14 0.00 0.00 0.00 0.00 54.91 54.80 2shp h ALA 509 Cb 1.10 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.74 2shp h ALA 509 CO 0.11 0.10 -0.36 1.96 0.00 0.00 0.00 179.25 181.05 2shp h GLN 510 N 0.76 0.78 0.32 0.00 4.20 -1.94 -1.75 115.11 117.47 2shp h GLN 510 Ca 0.33 -0.39 -0.00 0.00 0.06 0.00 0.00 58.65 58.65 2shp h GLN 510 Cb 0.22 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.99 2shp h GLN 510 CO -0.19 1.02 -0.25 -0.92 -0.67 0.00 0.00 178.83 177.81 2shp h TYR 511 N 0.65 -0.66 -0.93 2.96 3.20 -0.24 -2.08 116.97 119.86 2shp h TYR 511 Ca 0.06 -0.00 0.11 0.00 3.14 0.00 0.00 58.73 62.04 2shp h TYR 511 Cb 0.91 0.25 -0.08 0.00 1.54 0.00 0.00 36.73 39.35 2shp h TYR 511 CO 0.05 -0.38 0.57 -0.09 -1.64 0.00 0.00 178.16 176.67 2shp h ARG 512 N -0.57 0.88 -0.40 1.82 2.43 -0.93 -2.42 114.38 115.19 2shp h ARG 512 Ca -0.02 -0.05 0.03 0.00 -0.81 0.00 0.00 59.98 59.13 2shp h ARG 512 Cb 0.50 -0.20 -0.02 0.00 -0.42 0.00 0.00 29.97 29.83 2shp h ARG 512 CO -0.01 0.58 0.27 0.66 -1.51 0.00 0.00 179.97 179.96 2shp h SER 513 N 0.91 0.36 -0.65 -3.80 4.64 -0.87 -0.73 113.55 113.40 2shp h SER 513 Ca 0.46 -0.00 -0.03 0.00 -0.47 0.00 0.00 61.79 61.74 2shp h SER 513 Cb 0.45 -0.08 -0.03 0.00 -0.31 0.00 0.00 62.40 62.43 2shp h SER 513 CO -0.26 0.25 0.28 0.40 -0.87 0.00 0.00 176.83 176.62 2shp h ILE 514 N 0.42 1.23 0.02 0.95 2.04 -0.87 0.26 117.51 121.57 2shp h ILE 514 Ca 0.16 -0.71 -0.00 0.00 1.00 0.00 0.00 64.86 65.31 2shp h ILE 514 Cb 0.13 0.48 0.00 0.00 -0.74 0.00 0.00 36.82 36.69 2shp h ILE 514 CO -0.04 0.28 -0.01 1.88 0.00 0.00 0.00 178.15 180.27 2shp h TYR 515 N 0.92 -0.02 -0.82 1.37 0.05 -1.18 -2.41 116.97 114.88 2shp h TYR 515 Ca 0.22 -0.00 0.11 0.00 0.05 0.00 0.00 58.73 59.10 2shp h TYR 515 Cb 0.18 0.01 -0.08 0.00 1.01 0.00 0.00 36.73 37.85 2shp h TYR 515 CO 0.01 0.23 0.45 0.52 -1.05 0.00 0.00 178.16 178.33 2shp h MET 516 N -0.28 0.72 -0.38 4.88 2.86 -1.03 0.17 114.93 121.87 2shp h MET 516 Ca -0.00 -0.04 -0.05 0.00 -2.06 0.00 0.00 59.70 57.54 2shp h MET 516 Cb 0.27 -0.16 -0.01 0.00 0.06 0.00 0.00 31.60 31.75 2shp h MET 516 CO 0.00 0.47 0.03 0.00 1.06 0.00 0.00 176.91 178.48 2shp h ALA 517 N 1.47 0.51 -0.16 6.32 0.00 -0.87 -0.59 119.26 125.94 2shp h ALA 517 Ca 0.41 -0.23 -0.11 0.00 0.00 0.00 0.00 54.91 54.97 2shp h ALA 517 Cb 0.42 -0.14 -0.01 0.00 0.00 0.00 0.00 17.79 18.06 2shp h ALA 517 CO -0.27 0.25 -0.40 0.28 0.00 0.00 0.00 179.25 179.10 2shp h VAL 518 N 0.48 1.31 0.47 0.00 2.07 -0.94 -1.16 116.25 118.48 2shp h VAL 518 Ca 0.11 -1.52 -0.02 0.00 0.82 0.00 0.00 66.70 66.09 2shp h VAL 518 Cb 0.41 1.63 0.00 0.00 -1.52 0.00 0.00 31.29 31.82 2shp h VAL 518 CO 0.01 0.46 -0.23 -0.61 0.02 0.00 0.00 177.57 177.23 2shp h GLN 519 N 0.29 -0.61 -0.25 1.57 4.15 -0.43 0.26 115.11 120.09 2shp h GLN 519 Ca 0.03 0.04 0.06 0.00 0.77 0.00 0.00 58.65 59.55 2shp h GLN 519 Cb 0.83 0.14 -0.06 0.00 0.21 0.00 0.00 27.48 28.60 2shp h GLN 519 CO 0.07 -0.35 -0.12 1.25 -1.93 0.00 0.00 178.83 177.74 2shp h HIS 520 N -0.76 -0.30 -0.58 3.99 2.76 -1.03 0.29 115.15 119.52 2shp h HIS 520 Ca -0.06 0.03 0.11 0.00 -2.20 0.00 0.00 60.37 58.24 2shp h HIS 520 Cb 0.54 0.17 -0.08 0.00 1.55 0.00 0.00 27.41 29.59 2shp h HIS 520 CO -0.02 -0.19 0.11 -0.92 -1.30 0.00 0.00 177.93 175.61 2shp h TYR 521 N -0.10 0.17 -0.24 5.26 3.20 -1.08 0.10 116.97 124.29 2shp h TYR 521 Ca 0.13 0.04 -0.01 0.00 3.14 0.00 0.00 58.73 62.03 2shp h TYR 521 Cb 0.30 0.01 -0.01 0.00 1.54 0.00 0.00 36.73 38.57 2shp h TYR 521 CO -0.30 -0.04 0.12 0.82 -1.64 0.00 0.00 178.16 177.12 2shp h ILE 522 N 0.24 1.13 0.00 1.81 1.08 0.47 -2.84 117.51 119.41 2shp h ILE 522 Ca 0.30 -0.38 0.00 0.00 -0.39 0.00 0.00 64.86 64.39 2shp h ILE 522 Cb 0.44 0.95 0.00 0.00 -3.07 0.00 0.00 36.82 35.14 2shp h ILE 522 CO -0.40 0.13 0.00 -1.84 -0.69 0.00 0.00 178.15 175.36 2shp n GLU 523 N -4.84 0.67 -1.03 2.37 0.28 0.87 -1.09 120.64 117.88 2shp n GLU 523 Ca -0.03 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.85 2shp n GLU 523 Cb 0.09 -1.50 0.18 0.00 1.43 0.00 0.00 31.44 31.64 2shp n GLU 523 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 2shp n THR 524 N -1.12 2.83 -0.78 3.84 -2.24 0.29 -5.03 114.28 112.06 2shp n THR 524 Ca 0.18 -2.58 0.00 0.00 -2.27 0.00 0.00 64.05 59.38 2shp n THR 524 Cb 0.15 -0.45 0.00 0.00 -2.10 0.00 0.00 70.33 67.92 2shp n THR 524 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68