#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 1.88 0.00 4.39 3.41 -1.26 -4.52 113.62 117.52 2shp n SER 3 Ca 0.00 -2.06 0.00 0.00 -0.26 0.00 0.00 58.87 56.55 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 0.17 -0.89 0.20 4.33 5.12 -1.26 -4.76 116.66 119.57 2shp n ARG 4 Ca 0.02 0.15 0.10 0.00 -1.93 0.00 0.00 57.85 56.19 2shp n ARG 4 Cb 0.39 -3.77 0.63 0.00 -1.16 0.00 0.00 32.46 28.55 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 0.04 0.00 5.56 2.47 -1.94 0.15 114.38 120.66 2shp h ARG 5 Ca 0.00 -0.00 0.00 0.00 -1.26 0.00 0.00 59.98 58.72 2shp h ARG 5 Cb 0.31 -0.01 0.00 0.00 -1.65 0.00 0.00 29.97 28.62 2shp h ARG 5 CO 0.00 0.02 0.00 -2.67 0.56 0.00 0.00 179.97 177.88 2shp n TRP 6 N -4.51 0.23 -2.95 3.04 4.27 -1.26 0.28 117.44 116.54 2shp n TRP 6 Ca -0.00 0.09 -0.41 0.00 -3.89 0.00 0.00 57.50 53.28 2shp n TRP 6 Cb 0.17 -0.64 -0.05 0.00 -1.36 0.00 0.00 31.31 29.44 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 -3.08 3.33 -0.41 -2.67 5.36 0.53 -0.48 117.98 120.57 2shp s PHE 7 Ca 0.08 1.08 -0.07 0.00 -0.96 0.00 0.00 56.93 57.06 2shp s PHE 7 Cb 0.11 -2.98 0.09 0.00 -0.34 0.00 0.00 43.02 39.90 2shp s PHE 7 CO 0.35 -0.33 0.22 -1.01 -1.46 0.00 0.00 175.22 172.99 2shp s HIS 8 N 2.54 3.40 0.35 10.12 3.76 0.14 -4.75 115.29 130.85 2shp s HIS 8 Ca 0.33 -1.81 0.08 0.00 -0.15 0.00 0.00 55.06 53.52 2shp s HIS 8 Cb -0.16 -2.96 0.64 0.00 1.11 0.00 0.00 32.58 31.21 2shp s HIS 8 CO 0.09 -0.88 1.82 -1.00 -0.85 0.00 0.00 174.74 173.91 2shp h PRO 9 N 8.28 0.23 -2.96 8.40 0.13 -1.96 -3.37 132.00 140.74 2shp h PRO 9 Ca -0.20 -0.08 -0.60 0.00 -0.87 0.00 0.00 66.00 64.26 2shp h PRO 9 Cb 1.07 -0.02 -0.40 0.00 0.13 0.00 0.00 31.00 31.78 2shp h PRO 9 CO 0.72 0.48 -0.77 0.54 -0.23 0.00 0.00 178.00 178.75 2shp s ASN 10 N -6.88 3.53 -0.16 1.44 4.22 -1.26 -4.70 114.94 111.13 2shp s ASN 10 Ca -0.05 -2.35 -0.14 0.00 -2.14 0.00 0.00 52.86 48.18 2shp s ASN 10 Cb 0.14 -0.84 0.04 0.00 1.28 0.00 0.00 41.25 41.88 2shp s ASN 10 CO 0.75 -0.30 0.42 -0.51 -2.04 0.00 0.00 177.10 175.42 2shp s ILE 11 N 0.75 -0.00 0.85 0.54 2.07 -1.26 -5.15 121.20 118.99 2shp s ILE 11 Ca 0.16 0.01 -0.12 0.00 -1.41 0.00 0.00 60.65 59.29 2shp s ILE 11 Cb -0.23 -0.59 0.11 0.00 0.13 0.00 0.00 42.46 41.88 2shp s ILE 11 CO -0.04 0.01 1.17 -0.89 -1.91 0.00 0.00 174.94 173.28 2shp s THR 12 N 0.40 2.00 0.16 4.00 2.01 -1.26 -4.91 115.64 118.03 2shp s THR 12 Ca -0.01 0.00 -0.15 0.00 0.31 0.00 0.00 61.69 61.83 2shp s THR 12 Cb -0.04 -2.92 0.03 0.00 0.01 0.00 0.00 72.50 69.59 2shp s THR 12 CO -0.01 0.00 1.79 1.23 -0.69 0.00 0.00 174.62 176.93 2shp h GLY 13 N -1.24 0.67 0.80 4.40 0.00 -1.99 -0.66 103.07 105.06 2shp h GLY 13 Ca -0.47 -0.28 -0.02 0.00 0.00 0.00 0.00 47.33 46.56 2shp h GLY 13 CO 0.63 0.27 0.02 -2.08 0.00 0.00 0.00 176.54 175.38 2shp h VAL 14 N 0.61 1.23 -0.76 4.60 2.07 -1.99 -1.10 116.25 120.91 2shp h VAL 14 Ca 0.17 -0.74 0.11 0.00 0.82 0.00 0.00 66.70 67.06 2shp h VAL 14 Cb 0.00 1.44 -0.08 0.00 -1.52 0.00 0.00 31.29 31.13 2shp h VAL 14 CO -0.03 0.22 0.38 -0.33 0.02 0.00 0.00 177.57 177.83 2shp h GLU 15 N 0.01 0.59 -0.38 1.57 5.08 -1.93 -0.02 114.58 119.50 2shp h GLU 15 Ca 0.04 -0.04 -0.01 0.00 -1.00 0.00 0.00 59.36 58.35 2shp h GLU 15 Cb 0.32 -0.13 -0.02 0.00 0.50 0.00 0.00 28.75 29.42 2shp h GLU 15 CO 0.00 0.39 0.18 0.00 -1.00 0.00 0.00 179.01 178.59 2shp h ALA 16 N 1.48 0.49 -0.06 3.43 0.00 -0.64 0.14 119.26 124.11 2shp h ALA 16 Ca 0.39 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.19 2shp h ALA 16 Cb 0.47 -0.15 -0.00 0.00 0.00 0.00 0.00 17.79 18.10 2shp h ALA 16 CO -0.31 0.06 0.03 0.93 0.00 0.00 0.00 179.25 179.96 2shp h GLU 17 N 0.48 0.09 -0.24 0.00 5.08 -0.74 -1.02 114.58 118.23 2shp h GLU 17 Ca 0.13 -0.01 0.02 0.00 -1.00 0.00 0.00 59.36 58.50 2shp h GLU 17 Cb 0.12 -0.02 -0.03 0.00 0.50 0.00 0.00 28.75 29.32 2shp h GLU 17 CO -0.02 0.18 -0.20 -0.91 -1.00 0.00 0.00 179.01 177.07 2shp h ASN 18 N -0.03 -0.70 -0.76 1.42 2.35 -0.85 -0.94 115.58 116.08 2shp h ASN 18 Ca 0.02 0.10 0.15 0.00 -0.55 0.00 0.00 56.30 56.02 2shp h ASN 18 Cb 0.12 0.30 -0.10 0.00 0.05 0.00 0.00 38.32 38.69 2shp h ASN 18 CO -0.00 -0.11 0.27 0.25 -1.65 0.00 0.00 177.43 176.18 2shp h LEU 19 N -0.07 0.19 -0.65 1.61 5.85 -0.88 0.44 115.31 121.80 2shp h LEU 19 Ca 0.04 0.12 -0.11 0.00 0.84 0.00 0.00 57.88 58.77 2shp h LEU 19 Cb 0.17 0.13 -0.02 0.00 0.37 0.00 0.00 40.66 41.32 2shp h LEU 19 CO -0.27 0.05 -0.17 -0.07 -0.34 0.00 0.00 178.44 177.65 2shp h LEU 20 N 0.38 0.88 -0.07 2.25 3.38 -1.02 0.15 115.31 121.27 2shp h LEU 20 Ca 0.43 -0.30 -0.19 0.00 0.09 0.00 0.00 57.88 57.90 2shp h LEU 20 Cb 0.69 -0.24 0.01 0.00 0.09 0.00 0.00 40.66 41.21 2shp h LEU 20 CO -0.45 1.04 -0.69 -0.07 0.09 0.00 0.00 178.44 178.37 2shp h LEU 21 N 0.77 0.73 0.11 1.67 3.38 0.02 -1.59 115.31 120.40 2shp h LEU 21 Ca 0.11 -0.68 -0.33 0.00 0.09 0.00 0.00 57.88 57.07 2shp h LEU 21 Cb 0.70 -0.22 -0.01 0.00 0.09 0.00 0.00 40.66 41.22 2shp h LEU 21 CO 0.05 1.30 -1.77 0.71 0.09 0.00 0.00 178.44 178.82 2shp h THR 22 N 0.21 0.87 -0.02 0.22 1.35 -0.99 -3.39 112.91 111.16 2shp h THR 22 Ca -0.07 -2.56 0.00 0.00 -0.55 0.00 0.00 66.41 63.23 2shp h THR 22 Cb 1.35 2.61 0.00 0.00 -1.73 0.00 0.00 68.15 70.38 2shp h THR 22 CO 0.14 0.80 -0.11 0.54 -0.25 0.00 0.00 175.52 176.64 2shp n ARG 23 N -3.42 1.34 -4.62 4.72 5.12 0.51 -5.02 116.66 115.30 2shp n ARG 23 Ca -0.24 -1.13 -0.28 0.00 -1.93 0.00 0.00 57.85 54.27 2shp n ARG 23 Cb 1.05 -1.25 -0.10 0.00 -1.16 0.00 0.00 32.46 31.00 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 -1.41 2.56 0.46 -0.13 0.00 -0.60 -4.95 107.32 103.24 2shp s GLY 24 Ca 0.15 -1.76 0.03 0.00 0.00 0.00 0.00 44.72 43.14 2shp s GLY 24 CO 0.25 -2.06 0.04 -1.34 0.00 0.00 0.00 173.10 170.00 2shp s VAL 25 N -2.88 1.08 0.26 1.40 -7.23 -1.26 -4.68 120.40 107.08 2shp s VAL 25 Ca 0.28 -2.00 -0.31 0.00 -1.81 0.00 0.00 61.98 58.14 2shp s VAL 25 Cb 0.07 -2.33 -0.12 0.00 0.56 0.00 0.00 36.38 34.56 2shp s VAL 25 CO 0.14 0.00 1.55 0.47 -0.31 0.00 0.00 175.10 176.94 2shp n ASP 26 N -1.22 3.45 0.00 4.85 8.00 -1.26 -1.10 116.55 129.27 2shp n ASP 26 Ca -0.13 1.13 0.00 0.00 0.71 0.00 0.00 54.79 56.50 2shp n ASP 26 Cb 0.66 -1.52 0.00 0.00 -0.02 0.00 0.00 41.12 40.24 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 2.43 1.02 3.77 0.44 0.00 0.22 -4.88 105.19 108.20 2shp n GLY 27 Ca 0.11 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.75 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 -2.98 6.83 0.03 1.61 0.01 -0.26 -0.10 113.70 118.85 2shp s SER 28 Ca 0.00 2.23 -0.10 0.00 1.31 0.00 0.00 55.95 59.40 2shp s SER 28 Cb 0.00 -2.61 0.01 0.00 0.21 0.00 0.00 66.02 63.63 2shp s SER 28 CO 0.00 -0.45 0.20 0.72 0.41 0.00 0.00 173.24 174.12 2shp s PHE 29 N -1.41 0.03 0.05 2.43 -0.12 -0.74 -0.82 117.98 117.41 2shp s PHE 29 Ca 0.53 -0.23 -0.03 0.00 -0.05 0.00 0.00 56.93 57.15 2shp s PHE 29 Cb -0.29 -0.02 -0.02 0.00 -0.63 0.00 0.00 43.02 42.06 2shp s PHE 29 CO 0.36 -0.42 0.04 -0.48 -0.05 0.00 0.00 175.22 174.67 2shp s LEU 30 N -2.00 2.11 -0.01 -1.99 0.05 -0.60 -1.12 118.68 115.11 2shp s LEU 30 Ca -0.06 -0.78 0.04 0.00 0.05 0.00 0.00 54.13 53.38 2shp s LEU 30 Cb -0.02 0.44 -0.03 0.00 -2.05 0.00 0.00 46.19 44.53 2shp s LEU 30 CO -0.03 -0.57 -0.11 0.00 -0.55 0.00 0.00 176.35 175.09 2shp s ALA 31 N -3.37 2.84 -0.01 1.48 0.00 0.37 -1.08 121.76 121.98 2shp s ALA 31 Ca 0.02 -1.02 -0.07 0.00 0.00 0.00 0.00 51.96 50.88 2shp s ALA 31 Cb 0.04 -1.03 0.01 0.00 0.00 0.00 0.00 23.12 22.13 2shp s ALA 31 CO -0.08 0.59 0.15 -0.98 0.00 0.00 0.00 175.76 175.43 2shp s ARG 32 N -1.16 0.42 0.06 0.00 1.70 -0.46 -0.68 118.95 118.83 2shp s ARG 32 Ca 0.14 -0.25 -0.31 0.00 -0.47 0.00 0.00 55.73 54.85 2shp s ARG 32 Cb -0.11 0.18 -0.06 0.00 -0.57 0.00 0.00 34.95 34.39 2shp s ARG 32 CO 0.04 -0.09 1.31 -1.25 -1.08 0.00 0.00 175.30 174.23 2shp s PRO 33 N -1.04 4.36 0.47 3.89 0.04 -1.26 -0.21 135.00 141.25 2shp s PRO 33 Ca -0.11 1.92 -0.19 0.00 0.04 0.00 0.00 61.00 62.65 2shp s PRO 33 Cb -0.06 -3.36 -0.09 0.00 0.04 0.00 0.00 34.50 31.02 2shp s PRO 33 CO 0.01 -0.39 0.98 -1.54 0.04 0.00 0.00 177.00 176.10 2shp s SER 34 N 1.25 6.72 -0.41 6.66 1.04 0.21 -4.82 113.70 124.35 2shp s SER 34 Ca 0.62 1.68 0.05 0.00 0.48 0.00 0.00 55.95 58.78 2shp s SER 34 Cb -0.32 -2.53 0.45 0.00 0.10 0.00 0.00 66.02 63.71 2shp s SER 34 CO 0.29 -0.52 1.35 1.17 0.98 0.00 0.00 173.24 176.51 2shp n LYS 35 N -1.04 3.39 0.07 4.02 0.00 -1.26 -4.11 118.16 119.24 2shp n LYS 35 Ca 0.07 -4.06 0.12 0.00 0.00 0.00 0.00 58.31 54.44 2shp n LYS 35 Cb 0.54 -2.28 0.12 0.00 0.00 0.00 0.00 35.03 33.42 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 2.27 0.00 0.00 3.14 4.64 -1.94 -3.49 113.55 118.17 2shp h SER 36 Ca 0.40 -0.16 0.00 0.00 -0.47 0.00 0.00 61.79 61.56 2shp h SER 36 Cb 1.23 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.32 2shp h SER 36 CO 0.94 0.08 0.00 -3.20 -0.87 0.00 0.00 176.83 173.79 2shp n ASN 37 N -2.27 0.00 -4.77 4.97 2.85 -1.26 -5.13 115.26 109.65 2shp n ASN 37 Ca 0.02 0.00 -0.39 0.00 -0.11 0.00 0.00 54.58 54.11 2shp n ASN 37 Cb 0.47 0.00 -0.05 0.00 1.24 0.00 0.00 39.78 41.44 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 4.52 0.00 1.20 0.02 -1.26 -3.30 135.00 135.68 2shp s PRO 38 Ca 0.00 1.64 0.00 0.00 0.02 0.00 0.00 61.00 62.66 2shp s PRO 38 Cb 0.00 -2.98 0.00 0.00 0.02 0.00 0.00 34.50 31.54 2shp s PRO 38 CO 0.00 0.15 0.00 0.41 -0.33 0.00 0.00 177.00 177.23 2shp n GLY 39 N 0.93 3.05 3.76 0.52 0.00 -1.26 -5.06 105.19 107.13 2shp n GLY 39 Ca 0.01 0.00 -0.38 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 0.06 6.87 0.34 1.61 1.01 -1.21 -3.50 116.67 121.87 2shp s ASP 40 Ca 0.00 1.04 0.07 0.00 0.71 0.00 0.00 52.55 54.37 2shp s ASP 40 Cb 0.00 -2.33 -0.01 0.00 1.01 0.00 0.00 42.92 41.58 2shp s ASP 40 CO 0.00 0.08 0.41 -0.76 0.21 0.00 0.00 175.17 175.11 2shp s LEU 41 N 0.00 3.79 -0.06 1.23 2.01 0.52 -0.62 118.68 125.56 2shp s LEU 41 Ca 0.29 -0.34 0.03 0.00 0.01 0.00 0.00 54.13 54.12 2shp s LEU 41 Cb -0.17 -2.52 0.01 0.00 0.01 0.00 0.00 46.19 43.52 2shp s LEU 41 CO 0.15 -0.43 -0.14 -0.89 1.01 0.00 0.00 176.35 176.04 2shp s THR 42 N -2.25 1.28 -0.48 5.49 2.01 0.71 -1.17 115.64 121.22 2shp s THR 42 Ca 0.44 -0.59 -0.18 0.00 0.31 0.00 0.00 61.69 61.68 2shp s THR 42 Cb -0.08 -1.14 0.06 0.00 0.01 0.00 0.00 72.50 71.35 2shp s THR 42 CO 0.29 0.38 0.52 -0.22 -0.69 0.00 0.00 174.62 174.91 2shp s LEU 43 N 0.45 5.19 -0.30 4.42 2.96 0.62 -1.36 118.68 130.64 2shp s LEU 43 Ca -0.12 -1.03 -0.16 0.00 -0.22 0.00 0.00 54.13 52.61 2shp s LEU 43 Cb -0.15 -2.35 -0.02 0.00 0.50 0.00 0.00 46.19 44.17 2shp s LEU 43 CO 0.04 -0.77 0.40 -0.44 -1.32 0.00 0.00 176.35 174.26 2shp s SER 44 N 2.56 6.25 -0.01 3.68 0.01 -0.24 -0.88 113.70 125.06 2shp s SER 44 Ca 0.11 0.09 0.07 0.00 1.31 0.00 0.00 55.95 57.53 2shp s SER 44 Cb -0.21 -2.22 -0.02 0.00 0.21 0.00 0.00 66.02 63.79 2shp s SER 44 CO 0.10 -0.29 -0.23 -0.69 0.41 0.00 0.00 173.24 172.55 2shp s VAL 45 N 2.12 1.78 -0.16 3.43 1.01 0.21 -1.55 120.40 127.24 2shp s VAL 45 Ca 0.15 -0.99 -0.14 0.00 0.00 0.00 0.00 61.98 60.99 2shp s VAL 45 Cb -0.16 -1.49 -0.05 0.00 0.00 0.00 0.00 36.38 34.69 2shp s VAL 45 CO 0.11 0.48 0.32 -0.60 0.00 0.00 0.00 175.10 175.41 2shp s ARG 46 N -0.59 4.26 -0.12 2.72 3.52 -0.00 -0.31 118.95 128.42 2shp s ARG 46 Ca 0.09 0.14 -0.10 0.00 -0.13 0.00 0.00 55.73 55.73 2shp s ARG 46 Cb -0.09 -3.44 0.03 0.00 -1.56 0.00 0.00 34.95 29.90 2shp s ARG 46 CO -0.01 0.20 0.31 -0.98 -0.81 0.00 0.00 175.30 174.02 2shp s ARG 47 N 0.56 0.35 -1.47 5.12 1.04 0.12 -0.61 118.95 124.06 2shp s ARG 47 Ca 0.18 0.46 -0.03 0.00 -1.04 0.00 0.00 55.73 55.29 2shp s ARG 47 Cb -0.13 0.13 0.03 0.00 -2.04 0.00 0.00 34.95 32.94 2shp s ARG 47 CO 0.05 -0.06 0.42 0.09 -0.04 0.00 0.00 175.30 175.76 2shp n ASN 48 N 3.12 -0.61 0.00 -2.89 3.02 -1.26 -1.67 115.26 114.97 2shp n ASN 48 Ca -0.15 -1.04 0.00 0.00 -0.03 0.00 0.00 54.58 53.36 2shp n ASN 48 Cb 0.57 -2.81 0.00 0.00 -0.61 0.00 0.00 39.78 36.93 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 -1.97 0.19 3.55 7.41 0.00 -1.26 -4.94 105.19 108.17 2shp n GLY 49 Ca -0.25 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 -1.54 2.93 -0.20 4.61 0.00 -0.67 -5.03 121.76 121.85 2shp s ALA 50 Ca 0.00 -1.70 -0.07 0.00 0.00 0.00 0.00 51.96 50.19 2shp s ALA 50 Cb 0.00 -0.56 -0.04 0.00 0.00 0.00 0.00 23.12 22.53 2shp s ALA 50 CO 0.00 0.32 0.06 0.08 0.00 0.00 0.00 175.76 176.22 2shp s VAL 51 N -2.22 4.55 0.05 0.00 1.01 -1.26 -0.70 120.40 121.83 2shp s VAL 51 Ca 0.29 -0.11 0.03 0.00 0.00 0.00 0.00 61.98 62.19 2shp s VAL 51 Cb -0.06 -3.08 -0.04 0.00 0.00 0.00 0.00 36.38 33.20 2shp s VAL 51 CO 0.17 0.42 -0.00 0.28 0.00 0.00 0.00 175.10 175.96 2shp s THR 52 N 0.83 4.06 -0.16 3.92 -1.32 0.57 -4.95 115.64 118.59 2shp s THR 52 Ca 0.03 -0.82 0.01 0.00 -1.21 0.00 0.00 61.69 59.70 2shp s THR 52 Cb -0.14 -2.87 0.00 0.00 -1.51 0.00 0.00 72.50 67.98 2shp s THR 52 CO 0.02 0.24 -0.17 -1.00 -2.21 0.00 0.00 174.62 171.50 2shp s HIS 53 N -1.20 2.77 -0.15 9.09 3.76 -1.26 -0.62 115.29 127.67 2shp s HIS 53 Ca 0.23 -1.21 -0.04 0.00 -0.15 0.00 0.00 55.06 53.89 2shp s HIS 53 Cb -0.12 -1.89 -0.03 0.00 1.11 0.00 0.00 32.58 31.65 2shp s HIS 53 CO 0.14 -0.57 -0.03 0.42 -0.85 0.00 0.00 174.74 173.85 2shp s ILE 54 N 0.94 3.92 0.20 0.60 1.01 -0.06 -4.95 121.20 122.86 2shp s ILE 54 Ca -0.03 -0.35 -0.30 0.00 0.00 0.00 0.00 60.65 59.97 2shp s ILE 54 Cb -0.15 -2.72 -0.08 0.00 0.01 0.00 0.00 42.46 39.52 2shp s ILE 54 CO -0.03 0.50 0.94 -0.75 0.00 0.00 0.00 174.94 175.60 2shp s LYS 55 N 0.33 4.80 -0.20 2.79 2.47 -1.26 -0.28 119.74 128.40 2shp s LYS 55 Ca -0.04 1.46 -0.00 0.00 -1.56 0.00 0.00 55.97 55.84 2shp s LYS 55 Cb -0.14 -3.31 0.05 0.00 -1.46 0.00 0.00 37.83 32.97 2shp s LYS 55 CO 0.03 0.44 -0.05 0.42 0.16 0.00 0.00 175.35 176.35 2shp s ILE 56 N -0.86 1.23 -0.02 5.43 1.01 -0.32 -0.78 121.20 126.89 2shp s ILE 56 Ca 0.42 -0.86 -0.07 0.00 0.00 0.00 0.00 60.65 60.14 2shp s ILE 56 Cb -0.25 -1.47 -0.05 0.00 0.01 0.00 0.00 42.46 40.70 2shp s ILE 56 CO 0.31 0.01 0.24 -1.10 0.00 0.00 0.00 174.94 174.40 2shp s GLN 57 N 1.56 3.56 -0.13 2.79 -0.21 -0.78 -0.35 119.66 126.10 2shp s GLN 57 Ca -0.02 -0.08 -0.02 0.00 0.02 0.00 0.00 55.36 55.26 2shp s GLN 57 Cb -0.17 -3.11 0.04 0.00 1.00 0.00 0.00 33.01 30.77 2shp s GLN 57 CO -0.07 0.68 0.01 1.21 -2.12 0.00 0.00 175.29 175.00 2shp s ASN 58 N -1.56 2.23 0.00 5.90 3.84 -1.23 -0.12 114.94 124.01 2shp s ASN 58 Ca 0.25 -0.43 0.22 0.00 0.21 0.00 0.00 52.86 53.11 2shp s ASN 58 Cb -0.13 -0.55 0.22 0.00 -0.55 0.00 0.00 41.25 40.23 2shp s ASN 58 CO 0.14 -0.24 1.24 0.35 -2.79 0.00 0.00 177.10 175.80 2shp n THR 59 N 5.08 0.09 0.00 -5.21 -2.24 -1.26 -4.73 114.28 106.00 2shp n THR 59 Ca -0.08 -0.54 0.00 0.00 -2.27 0.00 0.00 64.05 61.15 2shp n THR 59 Cb 0.49 1.39 0.00 0.00 -2.10 0.00 0.00 70.33 70.10 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 1.29 0.89 0.09 3.38 0.00 -1.26 -4.36 105.19 105.22 2shp n GLY 60 Ca 0.14 0.00 -0.10 0.00 0.00 0.00 0.00 46.02 46.06 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 1.40 -3.60 1.61 8.00 -1.26 -3.77 116.55 118.93 2shp n ASP 61 Ca 0.00 -0.03 0.03 0.00 0.71 0.00 0.00 54.79 55.50 2shp n ASP 61 Cb 0.00 0.56 -0.00 0.00 -0.02 0.00 0.00 41.12 41.66 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 -2.40 -0.02 -0.22 1.24 -0.85 -1.26 -4.26 117.35 109.58 2shp s TYR 62 Ca -0.13 -0.04 -0.24 0.00 -0.52 0.00 0.00 57.07 56.14 2shp s TYR 62 Cb 0.05 0.53 -0.01 0.00 0.38 0.00 0.00 41.96 42.91 2shp s TYR 62 CO 0.61 -0.16 0.79 0.71 -1.52 0.00 0.00 175.55 175.98 2shp s TYR 63 N -2.23 3.34 -0.51 -3.49 1.51 0.12 -4.32 117.35 111.76 2shp s TYR 63 Ca 0.15 1.12 -0.06 0.00 -1.01 0.00 0.00 57.07 57.27 2shp s TYR 63 Cb 0.06 -3.00 0.13 0.00 -0.11 0.00 0.00 41.96 39.04 2shp s TYR 63 CO -0.05 -0.33 0.35 0.34 -1.11 0.00 0.00 175.55 174.75 2shp s ASP 64 N 1.29 5.50 -0.08 2.29 -1.08 0.83 -0.54 116.67 124.88 2shp s ASP 64 Ca 0.34 -2.24 -0.30 0.00 -0.52 0.00 0.00 52.55 49.83 2shp s ASP 64 Cb -0.16 -1.92 -0.03 0.00 -1.46 0.00 0.00 42.92 39.35 2shp s ASP 64 CO 0.09 -0.55 1.22 -0.22 0.52 0.00 0.00 175.17 176.23 2shp s LEU 65 N 0.85 4.25 0.07 -1.34 1.98 -1.18 -1.86 118.68 121.45 2shp s LEU 65 Ca 0.10 1.79 -0.31 0.00 -2.89 0.00 0.00 54.13 52.83 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 -0.63 1.76 -0.47 -1.89 0.00 0.00 176.35 175.09 2shp s TYR 66 N 2.55 2.09 0.00 5.38 6.14 0.04 -1.22 117.35 132.33 2shp s TYR 66 Ca 0.56 0.07 0.00 0.00 0.64 0.00 0.00 57.07 58.33 2shp s TYR 66 Cb -0.24 -4.07 0.00 0.00 0.42 0.00 0.00 41.96 38.07 2shp s TYR 66 CO 0.20 -4.46 0.00 0.41 0.64 0.00 0.00 175.55 172.34 2shp n GLY 67 N 4.18 0.46 0.00 8.97 0.00 -1.26 -4.83 105.19 112.71 2shp n GLY 67 Ca 0.17 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.19 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 -1.78 6.61 4.01 -0.02 0.00 -0.36 -4.54 105.19 109.11 2shp n GLY 68 Ca 0.00 -1.76 -0.19 0.00 0.00 0.00 0.00 46.02 44.06 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 1.14 2.46 -0.06 1.61 2.02 -1.26 -4.69 118.70 119.91 2shp s GLU 69 Ca 0.00 -1.30 -0.11 0.00 0.02 0.00 0.00 54.97 53.58 2shp s GLU 69 Cb 0.00 -2.63 -0.05 0.00 0.10 0.00 0.00 34.13 31.55 2shp s GLU 69 CO 0.00 -0.69 0.27 0.15 0.02 0.00 0.00 175.26 175.01 2shp s LYS 70 N -4.62 3.67 0.07 1.61 1.02 -1.26 -3.11 119.74 117.11 2shp s LYS 70 Ca 0.59 0.13 0.03 0.00 0.02 0.00 0.00 55.97 56.74 2shp s LYS 70 Cb -0.08 -3.20 -0.03 0.00 -0.52 0.00 0.00 37.83 34.00 2shp s LYS 70 CO 0.37 0.74 -0.10 -0.06 -0.92 0.00 0.00 175.35 175.38 2shp s PHE 71 N -1.05 0.93 0.13 3.18 0.40 0.30 -4.32 117.98 117.54 2shp s PHE 71 Ca 0.19 -0.54 -0.07 0.00 -0.60 0.00 0.00 56.93 55.91 2shp s PHE 71 Cb -0.14 -0.53 -0.09 0.00 0.51 0.00 0.00 43.02 42.77 2shp s PHE 71 CO 0.08 -0.03 1.32 0.00 0.70 0.00 0.00 175.22 177.30 2shp h ALA 72 N 4.16 0.38 -2.39 5.36 0.00 -1.87 0.36 119.26 125.26 2shp h ALA 72 Ca -0.38 -0.65 -0.16 0.00 0.00 0.00 0.00 54.91 53.73 2shp h ALA 72 Cb 1.19 -0.02 -0.15 0.00 0.00 0.00 0.00 17.79 18.82 2shp h ALA 72 CO 0.44 0.75 -0.63 0.95 0.00 0.00 0.00 179.25 180.76 2shp s THR 73 N -3.50 0.14 0.23 0.00 -4.23 -1.26 -4.29 115.64 102.73 2shp s THR 73 Ca -0.08 -1.82 -0.04 0.00 -1.18 0.00 0.00 61.69 58.57 2shp s THR 73 Cb 0.09 -1.85 0.08 0.00 1.34 0.00 0.00 72.50 72.16 2shp s THR 73 CO 0.88 -0.62 1.69 0.25 -0.54 0.00 0.00 174.62 176.28 2shp h LEU 74 N 2.93 0.83 -0.44 4.79 6.46 -1.99 -1.02 115.31 126.87 2shp h LEU 74 Ca -0.34 -0.24 -0.01 0.00 -0.12 0.00 0.00 57.88 57.17 2shp h LEU 74 Cb 1.18 -0.22 -0.02 0.00 -0.73 0.00 0.00 40.66 40.87 2shp h LEU 74 CO 0.60 0.94 0.24 0.00 -0.62 0.00 0.00 178.44 179.60 2shp h ALA 75 N 1.14 0.56 -0.28 1.25 0.00 -1.94 -0.23 119.26 119.76 2shp h ALA 75 Ca 0.13 -0.09 -0.04 0.00 0.00 0.00 0.00 54.91 54.91 2shp h ALA 75 Cb 0.57 -0.17 -0.02 0.00 0.00 0.00 0.00 17.79 18.17 2shp h ALA 75 CO 0.03 0.09 -0.00 0.93 0.00 0.00 0.00 179.25 180.30 2shp h GLU 76 N 0.57 0.43 0.45 0.00 5.08 -1.90 0.86 114.58 120.07 2shp h GLU 76 Ca 0.15 -0.08 -0.02 0.00 -1.00 0.00 0.00 59.36 58.41 2shp h GLU 76 Cb 0.06 -0.07 0.00 0.00 0.50 0.00 0.00 28.75 29.25 2shp h GLU 76 CO -0.02 0.46 -0.21 1.25 -1.00 0.00 0.00 179.01 179.49 2shp h LEU 77 N 0.42 -0.51 -0.56 1.33 6.46 -0.63 -2.17 115.31 119.64 2shp h LEU 77 Ca 0.09 -0.09 0.04 0.00 -0.12 0.00 0.00 57.88 57.81 2shp h LEU 77 Cb 0.29 0.13 -0.04 0.00 -0.73 0.00 0.00 40.66 40.30 2shp h LEU 77 CO 0.01 -0.18 0.31 0.58 -0.62 0.00 0.00 178.44 178.54 2shp h VAL 78 N -0.86 0.99 -0.89 1.05 2.07 -0.91 -2.42 116.25 115.27 2shp h VAL 78 Ca -0.06 -0.21 0.04 0.00 0.82 0.00 0.00 66.70 67.29 2shp h VAL 78 Cb 0.57 0.34 -0.05 0.00 -1.52 0.00 0.00 31.29 30.62 2shp h VAL 78 CO 0.10 0.11 0.57 -0.61 0.02 0.00 0.00 177.57 177.76 2shp h GLN 79 N 0.60 1.07 0.36 1.57 4.15 -0.87 -0.51 115.11 121.49 2shp h GLN 79 Ca 0.24 -0.06 -0.01 0.00 0.77 0.00 0.00 58.65 59.58 2shp h GLN 79 Cb 0.11 -0.24 -0.00 0.00 0.21 0.00 0.00 27.48 27.56 2shp h GLN 79 CO -0.15 0.71 -0.20 -0.92 -1.93 0.00 0.00 178.83 176.34 2shp h TYR 80 N 1.11 -0.52 0.00 3.99 3.20 -1.00 -2.69 116.97 121.05 2shp h TYR 80 Ca 0.36 -0.01 -0.01 0.00 3.14 0.00 0.00 58.73 62.21 2shp h TYR 80 Cb 0.03 0.18 -0.00 0.00 1.54 0.00 0.00 36.73 38.48 2shp h TYR 80 CO -0.02 -0.32 -0.05 1.88 -1.64 0.00 0.00 178.16 178.02 2shp h TYR 81 N -0.53 0.00 0.00 -3.82 0.05 -1.20 -1.38 116.97 110.10 2shp h TYR 81 Ca -0.04 0.00 0.00 0.00 0.05 0.00 0.00 58.73 58.74 2shp h TYR 81 Cb 0.42 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.16 2shp h TYR 81 CO -0.07 0.05 0.00 0.52 -1.05 0.00 0.00 178.16 177.60 2shp h MET 82 N 0.00 0.00 -0.20 4.88 2.86 -0.94 -3.12 114.93 118.42 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 0.73 0.00 0.00 0.00 0.06 0.00 0.00 31.60 32.39 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 -2.69 2.83 -3.09 1.72 1.02 -0.61 -4.74 120.64 115.08 2shp n GLU 83 Ca 0.03 -1.96 -0.17 0.00 -0.02 0.00 0.00 57.16 55.03 2shp n GLU 83 Cb 0.35 -1.24 -0.02 0.00 -0.02 0.00 0.00 31.44 30.52 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 -0.06 -0.69 -1.93 -0.32 8.25 -0.64 -5.05 115.22 114.78 2shp n HIS 84 Ca 0.09 -3.34 -0.37 0.00 -0.26 0.00 0.00 57.72 53.84 2shp n HIS 84 Cb 0.42 0.06 0.04 0.00 1.12 0.00 0.00 29.99 31.63 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 -1.47 2.34 0.00 4.41 3.76 -1.26 -2.80 115.29 120.28 2shp s HIS 85 Ca 0.35 1.48 0.00 0.00 -0.15 0.00 0.00 55.06 56.74 2shp s HIS 85 Cb 0.29 -3.59 0.00 0.00 1.11 0.00 0.00 32.58 30.39 2shp s HIS 85 CO -0.10 -2.46 0.00 0.41 -0.85 0.00 0.00 174.74 171.74 2shp n GLY 86 N 0.64 1.87 0.12 -2.22 0.00 -1.26 -4.87 105.19 99.47 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 0.70 -2.62 1.61 1.13 -1.12 -4.78 117.38 110.30 2shp n GLN 87 Ca 0.00 0.23 -0.43 0.00 -1.94 0.00 0.00 57.00 54.86 2shp n GLN 87 Cb 0.00 -1.69 -0.02 0.00 0.11 0.00 0.00 30.24 28.63 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 -6.51 3.63 0.09 1.08 2.96 -1.26 -4.97 118.68 113.70 2shp s LEU 88 Ca -0.17 0.33 0.05 0.00 -0.22 0.00 0.00 54.13 54.12 2shp s LEU 88 Cb 0.07 -3.41 -0.04 0.00 0.50 0.00 0.00 46.19 43.31 2shp s LEU 88 CO 0.77 -1.30 0.01 -0.54 -1.32 0.00 0.00 176.35 173.97 2shp s LYS 89 N 4.52 2.56 0.00 1.98 1.02 -1.26 0.88 119.74 129.44 2shp s LYS 89 Ca 0.45 -0.84 0.00 0.00 0.02 0.00 0.00 55.97 55.61 2shp s LYS 89 Cb -0.07 -2.55 0.00 0.00 -0.52 0.00 0.00 37.83 34.69 2shp s LYS 89 CO 0.30 0.54 0.00 -1.91 -0.92 0.00 0.00 175.35 173.36 2shp n GLU 90 N 0.53 0.00 -3.03 1.68 2.13 0.41 -4.79 120.64 117.57 2shp n GLU 90 Ca -0.11 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 0.92 3.89 0.21 5.31 1.02 -1.26 -4.75 119.74 125.08 2shp s LYS 91 Ca 0.00 -2.37 0.00 0.00 0.02 0.00 0.00 55.97 53.62 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 5.41 -8.72 0.00 2.83 5.15 -1.26 -4.38 115.26 114.29 2shp n ASN 92 Ca 0.28 1.41 0.00 0.00 -0.60 0.00 0.00 54.58 55.67 2shp n ASN 92 Cb 0.45 -5.03 0.00 0.00 -0.53 0.00 0.00 39.78 34.67 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 1.90 0.81 3.21 8.20 0.00 -1.26 -4.87 105.19 113.18 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 1.62 -0.28 -4.62 1.61 9.92 -1.26 -4.69 116.55 118.85 2shp n ASP 94 Ca 0.00 -0.06 -0.43 0.00 -0.53 0.00 0.00 54.79 53.77 2shp n ASP 94 Cb 0.00 -0.72 -0.03 0.00 -0.64 0.00 0.00 41.12 39.73 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 5.46 3.46 -0.13 2.53 -7.23 -1.26 0.15 120.40 123.38 2shp s VAL 95 Ca 1.24 0.50 -0.18 0.00 -1.81 0.00 0.00 61.98 61.72 2shp s VAL 95 Cb -1.03 -3.51 -0.04 0.00 0.56 0.00 0.00 36.38 32.36 2shp s VAL 95 CO 0.47 -0.26 0.50 -0.63 -0.31 0.00 0.00 175.10 174.87 2shp s ILE 96 N 6.13 5.17 -0.17 -0.62 1.01 0.25 -4.88 121.20 128.09 2shp s ILE 96 Ca 0.80 0.98 -0.06 0.00 0.00 0.00 0.00 60.65 62.38 2shp s ILE 96 Cb -0.27 -3.83 -0.03 0.00 0.01 0.00 0.00 42.46 38.33 2shp s ILE 96 CO 0.33 0.30 0.02 -1.61 0.00 0.00 0.00 174.94 173.98 2shp s GLU 97 N 0.77 3.82 -0.54 2.79 2.02 -1.26 -4.37 118.70 121.94 2shp s GLU 97 Ca 0.26 -0.43 -0.17 0.00 0.02 0.00 0.00 54.97 54.66 2shp s GLU 97 Cb -0.15 -3.09 0.11 0.00 0.10 0.00 0.00 34.13 31.10 2shp s GLU 97 CO 0.11 0.23 0.53 -0.51 0.02 0.00 0.00 175.26 175.64 2shp s LEU 98 N 0.44 5.90 -0.10 1.80 1.43 -1.26 -4.42 118.68 122.46 2shp s LEU 98 Ca 0.00 -1.62 -0.08 0.00 -1.03 0.00 0.00 54.13 51.41 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 -0.88 -0.17 0.29 0.23 0.00 0.00 176.35 175.83 2shp n LYS 99 N 5.50 0.28 -3.93 1.70 5.02 0.29 -4.45 118.16 122.57 2shp n LYS 99 Ca -0.13 0.12 -0.30 0.00 -2.02 0.00 0.00 58.31 55.98 2shp n LYS 99 Cb 0.41 -0.97 -0.16 0.00 -0.02 0.00 0.00 35.03 34.29 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 -2.32 2.38 -0.10 2.13 2.02 0.85 -4.99 117.35 117.33 2shp s TYR 100 Ca -0.17 -1.79 -0.29 0.00 -0.37 0.00 0.00 57.07 54.45 2shp s TYR 100 Cb 0.05 -1.63 -0.06 0.00 -0.40 0.00 0.00 41.96 39.93 2shp s TYR 100 CO 0.23 -0.78 1.83 -2.14 -1.57 0.00 0.00 175.55 173.11 2shp s PRO 101 N 1.40 3.89 -0.76 -1.71 0.02 -1.26 -1.79 135.00 134.79 2shp s PRO 101 Ca -0.04 2.13 -0.25 0.00 0.02 0.00 0.00 61.00 62.86 2shp s PRO 101 Cb -0.19 -4.11 0.04 0.00 0.02 0.00 0.00 34.50 30.26 2shp s PRO 101 CO -0.07 -1.21 1.23 -1.17 -0.33 0.00 0.00 177.00 175.44 2shp s LEU 102 N 5.19 3.53 0.76 -5.54 1.98 -0.28 -4.91 118.68 119.41 2shp s LEU 102 Ca 0.82 -0.73 -0.13 0.00 -2.89 0.00 0.00 54.13 51.20 2shp s LEU 102 Cb -0.33 -2.52 0.06 0.00 0.66 0.00 0.00 46.19 44.05 2shp s LEU 102 CO 0.34 -1.69 1.13 0.20 -1.89 0.00 0.00 176.35 174.44 2shp s ASN 103 N 3.87 4.29 -0.14 3.68 0.01 -1.26 -4.38 114.94 121.01 2shp s ASN 103 Ca 0.33 2.05 -0.08 0.00 -0.71 0.00 0.00 52.86 54.45 2shp s ASN 103 Cb -0.09 -2.55 -0.04 0.00 0.41 0.00 0.00 41.25 38.98 2shp s ASN 103 CO 0.10 -2.18 0.15 0.00 -1.51 0.00 0.00 177.10 173.66 2shp n ALA 105 N 2.43 3.07 -1.83 0.00 0.00 -1.26 -4.93 120.51 117.99 2shp n ALA 105 Ca -0.18 -0.31 -0.42 0.00 0.00 0.00 0.00 53.44 52.52 2shp n ALA 105 Cb 0.54 -1.08 -0.03 0.00 0.00 0.00 0.00 19.45 18.88 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 -4.24 6.49 0.00 0.00 -1.08 -1.26 -4.54 116.67 112.03 2shp s ASP 106 Ca 0.04 2.72 0.19 0.00 -0.52 0.00 0.00 52.55 54.98 2shp s ASP 106 Cb 0.13 -2.59 0.60 0.00 -1.46 0.00 0.00 42.92 39.61 2shp s ASP 106 CO 0.76 -0.91 1.46 -0.81 0.52 0.00 0.00 175.17 176.20 2shp n PRO 107 N 4.31 1.91 -0.24 4.34 -0.04 -1.26 -4.73 135.00 139.30 2shp n PRO 107 Ca 0.15 -1.38 -0.07 0.00 -0.04 0.00 0.00 63.50 62.17 2shp n PRO 107 Cb 0.37 -1.39 0.04 0.00 -0.04 0.00 0.00 33.50 32.48 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 2.62 1.23 -0.34 0.52 1.35 -1.95 -2.59 112.91 113.75 2shp h THR 108 Ca 0.00 -0.70 0.00 0.00 -0.55 0.00 0.00 66.41 65.16 2shp h THR 108 Cb 0.58 0.47 0.00 0.00 -1.73 0.00 0.00 68.15 67.47 2shp h THR 108 CO 0.00 0.28 0.00 -1.20 -0.25 0.00 0.00 175.52 174.35 2shp n SER 109 N -4.44 3.63 -4.79 5.36 7.64 -1.26 -4.90 113.62 114.86 2shp n SER 109 Ca 0.05 -2.50 -0.39 0.00 1.01 0.00 0.00 58.87 57.04 2shp n SER 109 Cb 0.15 -0.58 -0.06 0.00 -1.01 0.00 0.00 64.21 62.71 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 -1.97 4.41 0.44 1.43 0.41 -0.98 -4.38 118.70 118.06 2shp s GLU 110 Ca 0.31 0.98 0.11 0.00 -0.41 0.00 0.00 54.97 55.96 2shp s GLU 110 Cb 0.23 -3.23 0.98 0.00 -1.78 0.00 0.00 34.13 30.33 2shp s GLU 110 CO 0.10 0.59 2.05 0.00 -0.49 0.00 0.00 175.26 177.51 2shp h ARG 111 N 4.35 0.27 0.00 1.61 3.08 -1.90 -2.58 114.38 119.21 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 1.21 -0.06 0.00 0.00 0.08 0.00 0.00 29.97 31.20 2shp h ARG 111 CO 0.65 0.24 -0.60 0.11 -1.07 0.00 0.00 179.97 179.29 2shp h TRP 112 N 0.27 0.00 -3.39 3.04 5.08 -1.89 -3.42 115.95 115.65 2shp h TRP 112 Ca 0.07 0.00 -0.55 0.00 1.08 0.00 0.00 58.89 59.49 2shp h TRP 112 Cb 0.08 0.00 -0.03 0.00 -3.00 0.00 0.00 29.16 26.20 2shp h TRP 112 CO 0.00 0.00 0.28 0.12 -1.28 0.00 0.00 178.44 177.56 2shp s PHE 113 N -3.28 3.62 0.00 0.12 5.36 -0.97 -0.41 117.98 122.42 2shp s PHE 113 Ca 0.03 1.53 0.00 0.00 -0.96 0.00 0.00 56.93 57.53 2shp s PHE 113 Cb 0.09 -3.01 0.00 0.00 -0.34 0.00 0.00 43.02 39.75 2shp s PHE 113 CO 0.74 0.01 0.00 0.72 -1.46 0.00 0.00 175.22 175.22 2shp n HIS 114 N 3.94 0.00 -3.48 10.12 8.25 -0.28 -4.84 115.22 128.92 2shp n HIS 114 Ca 0.04 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.50 2shp n HIS 114 Cb 0.51 0.02 0.00 0.00 1.12 0.00 0.00 29.99 31.64 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 3.12 -0.62 3.44 -1.41 0.00 -1.19 -4.77 105.19 103.75 2shp n GLY 115 Ca 0.00 -0.69 -0.26 0.00 0.00 0.00 0.00 46.02 45.07 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 -0.99 -3.97 1.61 1.44 -1.26 -4.58 115.22 106.09 2shp n HIS 116 Ca 0.00 0.42 -0.17 0.00 -2.01 0.00 0.00 57.72 55.95 2shp n HIS 116 Cb 0.00 -1.27 -0.16 0.00 0.12 0.00 0.00 29.99 28.68 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 -5.30 1.25 0.59 2.39 2.96 -1.26 -5.05 118.68 114.26 2shp s LEU 117 Ca 0.51 -0.04 -0.08 0.00 -0.22 0.00 0.00 54.13 54.30 2shp s LEU 117 Cb -0.30 -0.25 -0.01 0.00 0.50 0.00 0.00 46.19 46.13 2shp s LEU 117 CO 0.62 -0.08 0.93 -0.94 -1.32 0.00 0.00 176.35 175.56 2shp s SER 118 N 0.93 5.89 0.22 3.68 1.04 -1.26 -4.59 113.70 119.61 2shp s SER 118 Ca -0.10 1.00 -0.07 0.00 0.48 0.00 0.00 55.95 57.27 2shp s SER 118 Cb -0.13 -2.06 0.17 0.00 0.10 0.00 0.00 66.02 64.10 2shp s SER 118 CO -0.01 -0.93 1.75 1.23 0.98 0.00 0.00 173.24 176.26 2shp h GLY 119 N -0.18 1.20 2.00 7.32 0.00 -1.99 0.18 103.07 111.61 2shp h GLY 119 Ca -0.45 -0.71 -0.20 0.00 0.00 0.00 0.00 47.33 45.97 2shp h GLY 119 CO 0.62 0.67 -0.93 0.07 0.00 0.00 0.00 176.54 176.96 2shp h LYS 120 N 1.07 0.00 -0.15 4.80 2.10 -1.99 -2.01 116.57 120.40 2shp h LYS 120 Ca 0.23 0.00 -0.21 0.00 -2.00 0.00 0.00 60.65 58.67 2shp h LYS 120 Cb 0.31 0.00 0.01 0.00 -0.90 0.00 0.00 32.23 31.65 2shp h LYS 120 CO -0.01 0.93 -0.74 0.93 -2.00 0.00 0.00 179.45 178.57 2shp h GLU 121 N 0.00 0.77 -0.96 0.07 3.07 -1.89 -0.46 114.58 115.18 2shp h GLU 121 Ca -0.01 -0.62 0.08 0.00 -0.50 0.00 0.00 59.36 58.31 2shp h GLU 121 Cb 1.70 0.13 -0.07 0.00 -0.84 0.00 0.00 28.75 29.66 2shp h GLU 121 CO 0.12 1.23 0.61 0.00 -1.40 0.00 0.00 179.01 179.57 2shp h ALA 122 N 0.54 1.37 -0.46 3.43 0.00 -0.64 -0.67 119.26 122.83 2shp h ALA 122 Ca -0.05 -0.00 -0.06 0.00 0.00 0.00 0.00 54.91 54.80 2shp h ALA 122 Cb 1.37 -0.25 -0.02 0.00 0.00 0.00 0.00 17.79 18.89 2shp h ALA 122 CO 0.15 0.32 0.06 0.93 0.00 0.00 0.00 179.25 180.72 2shp h GLU 123 N 1.05 0.77 0.10 0.00 5.08 -1.12 -0.08 114.58 120.39 2shp h GLU 123 Ca 0.44 -0.21 0.02 0.00 -1.00 0.00 0.00 59.36 58.60 2shp h GLU 123 Cb 0.28 -0.09 -0.05 0.00 0.50 0.00 0.00 28.75 29.39 2shp h GLU 123 CO -0.21 0.80 -0.46 0.87 -1.00 0.00 0.00 179.01 179.01 2shp h LYS 124 N 0.64 -0.65 -0.32 2.33 1.79 -0.06 0.16 116.57 120.46 2shp h LYS 124 Ca 0.14 0.04 0.01 0.00 -2.18 0.00 0.00 60.65 58.66 2shp h LYS 124 Cb 0.41 0.15 -0.02 0.00 -1.58 0.00 0.00 32.23 31.19 2shp h LYS 124 CO 0.01 -0.44 0.20 -0.07 -1.08 0.00 0.00 179.45 178.07 2shp h LEU 125 N -0.68 0.33 -1.52 2.94 3.38 -1.07 0.59 115.31 119.27 2shp h LEU 125 Ca 0.02 -0.00 -0.04 0.00 0.09 0.00 0.00 57.88 57.95 2shp h LEU 125 Cb 0.71 -0.07 -0.01 0.00 0.09 0.00 0.00 40.66 41.37 2shp h LEU 125 CO -0.28 0.24 -0.08 -0.07 0.09 0.00 0.00 178.44 178.35 2shp h LEU 126 N 0.41 0.20 -0.07 1.67 3.38 -0.91 0.86 115.31 120.84 2shp h LEU 126 Ca 0.12 -0.03 -0.21 0.00 0.09 0.00 0.00 57.88 57.85 2shp h LEU 126 Cb -0.02 -0.05 -0.02 0.00 0.09 0.00 0.00 40.66 40.66 2shp h LEU 126 CO -0.05 0.31 -0.99 0.74 0.09 0.00 0.00 178.44 178.54 2shp h THR 127 N 0.21 1.65 0.12 0.22 2.02 0.53 -1.78 112.91 115.88 2shp h THR 127 Ca 0.05 -3.20 -0.01 0.00 0.77 0.00 0.00 66.41 64.01 2shp h THR 127 Cb 0.28 2.77 0.00 0.00 -1.74 0.00 0.00 68.15 69.46 2shp h THR 127 CO 0.01 0.92 -0.06 -0.33 0.37 0.00 0.00 175.52 176.43 2shp h GLU 128 N 0.02 -0.16 0.00 6.66 5.08 0.11 -3.40 114.58 122.89 2shp h GLU 128 Ca -0.03 0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2shp h GLU 128 Cb 1.72 0.04 0.00 0.00 0.50 0.00 0.00 28.75 31.01 2shp h GLU 128 CO 0.14 0.29 -1.01 1.63 -1.00 0.00 0.00 179.01 179.06 2shp n LYS 129 N -4.86 1.75 -1.86 2.33 5.02 0.20 -5.07 118.16 115.67 2shp n LYS 129 Ca -0.07 -0.05 -0.30 0.00 -2.02 0.00 0.00 58.31 55.87 2shp n LYS 129 Cb 0.26 -1.08 0.04 0.00 -0.02 0.00 0.00 35.03 34.23 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 -2.51 1.63 0.29 0.72 0.00 -0.67 -4.88 107.32 101.91 2shp s GLY 130 Ca -0.01 -0.29 0.06 0.00 0.00 0.00 0.00 44.72 44.48 2shp s GLY 130 CO 0.34 0.06 0.21 0.28 0.00 0.00 0.00 173.10 173.99 2shp n LYS 131 N -2.99 0.41 -1.65 2.90 5.02 -1.26 -4.86 118.16 115.73 2shp n LYS 131 Ca 0.07 -2.83 -0.47 0.00 -2.02 0.00 0.00 58.31 53.06 2shp n LYS 131 Cb 0.57 2.13 -0.04 0.00 -0.02 0.00 0.00 35.03 37.66 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 -0.59 2.03 -0.08 2.13 -0.00 -1.26 -1.07 115.22 116.37 2shp n HIS 132 Ca 0.04 0.40 0.00 0.00 -0.00 0.00 0.00 57.72 58.16 2shp n HIS 132 Cb 0.51 -2.47 0.00 0.00 -0.00 0.00 0.00 29.99 28.03 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 2.93 1.98 3.75 1.57 0.00 0.93 -4.85 105.19 111.50 2shp n GLY 133 Ca 0.16 0.00 -0.41 0.00 0.00 0.00 0.00 46.02 45.77 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 -3.37 6.75 0.30 1.61 0.01 -0.24 -0.93 113.70 117.83 2shp s SER 134 Ca 0.00 2.60 0.00 0.00 1.31 0.00 0.00 55.95 59.86 2shp s SER 134 Cb 0.00 -2.62 -0.02 0.00 0.21 0.00 0.00 66.02 63.59 2shp s SER 134 CO 0.00 -0.62 0.34 0.72 0.41 0.00 0.00 173.24 174.09 2shp s PHE 135 N -0.20 1.25 -0.04 2.43 -0.71 -0.78 -0.91 117.98 119.03 2shp s PHE 135 Ca 0.56 -1.38 -0.29 0.00 -1.04 0.00 0.00 56.93 54.78 2shp s PHE 135 Cb -0.40 -0.36 0.11 0.00 -1.21 0.00 0.00 43.02 41.15 2shp s PHE 135 CO 0.44 -0.94 0.90 -0.48 -1.34 0.00 0.00 175.22 173.80 2shp s LEU 136 N -3.25 -0.38 -0.13 -1.99 0.05 -0.85 -0.63 118.68 111.50 2shp s LEU 136 Ca 0.35 0.11 0.02 0.00 0.05 0.00 0.00 54.13 54.66 2shp s LEU 136 Cb 0.02 2.01 0.01 0.00 -2.05 0.00 0.00 46.19 46.18 2shp s LEU 136 CO 0.20 -0.57 -0.21 -0.69 -0.55 0.00 0.00 176.35 174.53 2shp s VAL 137 N -2.66 1.99 0.29 1.48 1.01 0.46 -1.22 120.40 121.74 2shp s VAL 137 Ca 0.03 -0.94 0.09 0.00 0.00 0.00 0.00 61.98 61.17 2shp s VAL 137 Cb -0.01 -1.76 -0.06 0.00 0.00 0.00 0.00 36.38 34.56 2shp s VAL 137 CO -0.06 0.54 -0.12 0.00 0.00 0.00 0.00 175.10 175.45 2shp s ARG 138 N 0.82 1.64 0.32 2.72 1.70 0.19 -1.13 118.95 125.22 2shp s ARG 138 Ca -0.07 -1.80 -0.27 0.00 -0.47 0.00 0.00 55.73 53.11 2shp s ARG 138 Cb -0.16 -1.50 -0.09 0.00 -0.57 0.00 0.00 34.95 32.63 2shp s ARG 138 CO -0.02 0.17 1.07 -1.21 -1.08 0.00 0.00 175.30 174.24 2shp s GLU 139 N -3.62 4.47 -0.20 3.89 2.02 -1.26 -0.10 118.70 123.90 2shp s GLU 139 Ca 0.30 1.67 -0.29 0.00 0.02 0.00 0.00 54.97 56.67 2shp s GLU 139 Cb 0.00 -2.94 0.00 0.00 0.10 0.00 0.00 34.13 31.29 2shp s GLU 139 CO 0.13 0.09 1.06 0.45 0.02 0.00 0.00 175.26 177.02 2shp s SER 140 N -1.16 7.11 0.22 -0.19 0.15 -0.14 -4.60 113.70 115.09 2shp s SER 140 Ca 0.49 1.45 0.13 0.00 0.70 0.00 0.00 55.95 58.73 2shp s SER 140 Cb -0.28 -2.54 -0.02 0.00 -1.71 0.00 0.00 66.02 61.47 2shp s SER 140 CO 0.35 -0.63 1.35 1.56 1.20 0.00 0.00 173.24 177.06 2shp h GLN 141 N 7.46 0.00 0.00 5.44 4.20 -1.89 -3.38 115.11 126.94 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 0.95 0.60 0.00 0.45 -0.67 0.00 0.00 178.83 180.16 2shp n SER 142 N -3.22 0.00 -4.48 1.46 2.88 -1.26 -4.73 113.62 104.27 2shp n SER 142 Ca 0.00 0.00 -0.43 0.00 -1.33 0.00 0.00 58.87 57.11 2shp n SER 142 Cb 0.79 0.00 -0.07 0.00 -0.75 0.00 0.00 64.21 64.18 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 3.08 -0.24 0.66 3.76 -1.26 -4.99 115.29 116.30 2shp s HIS 143 Ca 0.00 -0.35 -0.29 0.00 -0.15 0.00 0.00 55.06 54.27 2shp s HIS 143 Cb 0.00 -3.34 -0.02 0.00 1.11 0.00 0.00 32.58 30.33 2shp s HIS 143 CO 0.00 -0.91 1.53 -1.25 -0.85 0.00 0.00 174.74 173.26 2shp s PRO 144 N 2.59 3.84 0.00 8.40 0.04 -1.26 -1.95 135.00 146.65 2shp s PRO 144 Ca 0.17 1.56 0.00 0.00 0.04 0.00 0.00 61.00 62.77 2shp s PRO 144 Cb -0.17 -3.99 0.00 0.00 0.04 0.00 0.00 34.50 30.38 2shp s PRO 144 CO 0.15 -1.24 0.00 0.41 0.04 0.00 0.00 177.00 176.36 2shp n GLY 145 N 4.55 0.84 3.76 0.56 0.00 -1.26 -5.10 105.19 108.54 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 -0.73 3.25 0.27 1.61 1.11 -0.82 -4.59 116.67 116.76 2shp s ASP 146 Ca 0.00 0.98 0.03 0.00 0.18 0.00 0.00 52.55 53.74 2shp s ASP 146 Cb 0.00 -1.56 -0.05 0.00 1.07 0.00 0.00 42.92 42.38 2shp s ASP 146 CO 0.00 -2.71 0.05 -0.36 1.18 0.00 0.00 175.17 173.32 2shp s PHE 147 N -3.22 1.66 -0.03 4.23 0.40 0.11 -0.97 117.98 120.16 2shp s PHE 147 Ca 0.64 -1.02 0.01 0.00 -0.60 0.00 0.00 56.93 55.96 2shp s PHE 147 Cb -0.15 -1.01 0.01 0.00 0.51 0.00 0.00 43.02 42.38 2shp s PHE 147 CO 0.54 -0.13 -0.05 0.08 0.70 0.00 0.00 175.22 176.36 2shp s VAL 148 N -3.51 0.53 -0.39 -0.44 1.01 0.85 -0.27 120.40 118.18 2shp s VAL 148 Ca 0.34 -0.18 -0.14 0.00 0.00 0.00 0.00 61.98 62.00 2shp s VAL 148 Cb 0.07 -0.52 0.01 0.00 0.00 0.00 0.00 36.38 35.95 2shp s VAL 148 CO 0.12 0.20 0.27 -0.22 0.00 0.00 0.00 175.10 175.47 2shp s LEU 149 N 0.54 4.91 -0.19 3.92 2.96 -0.55 -0.64 118.68 129.63 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 -2.13 -0.05 0.00 0.50 0.00 0.00 46.19 44.41 2shp s LEU 149 CO 0.00 -0.39 0.10 -0.44 -1.32 0.00 0.00 176.35 174.30 2shp s SER 150 N 1.67 5.99 -0.04 3.68 0.01 -0.36 -0.44 113.70 124.22 2shp s SER 150 Ca 0.05 0.19 0.03 0.00 1.31 0.00 0.00 55.95 57.52 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 0.19 -0.12 -0.69 0.41 0.00 0.00 173.24 173.13 2shp s VAL 151 N 0.29 1.01 -0.29 3.43 1.01 0.50 -2.00 120.40 124.34 2shp s VAL 151 Ca 0.07 -0.47 -0.21 0.00 0.00 0.00 0.00 61.98 61.37 2shp s VAL 151 Cb -0.12 -0.89 -0.01 0.00 0.00 0.00 0.00 36.38 35.36 2shp s VAL 151 CO -0.01 0.31 0.65 -0.60 0.00 0.00 0.00 175.10 175.44 2shp s ARG 152 N 0.24 3.97 -0.11 2.72 3.52 -0.08 -0.56 118.95 128.65 2shp s ARG 152 Ca -0.05 0.41 -0.01 0.00 -0.13 0.00 0.00 55.73 55.94 2shp s ARG 152 Cb -0.11 -3.70 -0.03 0.00 -1.56 0.00 0.00 34.95 29.55 2shp s ARG 152 CO 0.01 -0.53 -0.07 0.99 -0.81 0.00 0.00 175.30 174.89 2shp s THR 153 N 2.61 3.66 0.12 4.11 2.01 0.03 -0.05 115.64 128.14 2shp s THR 153 Ca 0.26 -0.47 -0.04 0.00 0.31 0.00 0.00 61.69 61.76 2shp s THR 153 Cb -0.15 -2.54 0.01 0.00 0.01 0.00 0.00 72.50 69.83 2shp s THR 153 CO 0.11 0.55 0.23 0.61 -0.69 0.00 0.00 174.62 175.43 2shp n GLY 154 N 2.91 1.97 0.94 4.40 0.00 -1.25 -1.34 105.19 112.81 2shp n GLY 154 Ca -0.18 -1.19 0.06 0.00 0.00 0.00 0.00 46.02 44.72 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 -1.39 -3.26 0.00 1.61 2.03 0.29 -4.75 116.55 111.08 2shp n ASP 155 Ca -0.02 0.63 0.00 0.00 0.52 0.00 0.00 54.79 55.92 2shp n ASP 155 Cb 0.19 -2.96 0.00 0.00 -0.72 0.00 0.00 41.12 37.63 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 -3.39 0.00 -4.56 1.67 0.23 -1.26 -4.37 115.26 103.57 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 0.27 0.00 -0.04 0.00 -2.08 0.00 0.00 39.78 37.93 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 5.59 -0.75 0.53 2.15 -1.26 -4.89 116.67 118.04 2shp s ASP 162 Ca 0.00 -1.16 -0.16 0.00 0.43 0.00 0.00 52.55 51.66 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 -2.38 1.98 0.61 -0.17 0.00 0.00 175.17 175.21 2shp n GLY 163 N 6.58 -0.29 0.00 2.66 0.00 -1.26 -4.78 105.19 108.10 2shp n GLY 163 Ca 0.40 0.11 0.00 0.00 0.00 0.00 0.00 46.02 46.52 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 6.78 0.00 0.00 1.61 5.02 -1.26 0.10 118.16 130.42 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 -3.82 4.39 7.64 -1.26 -3.96 113.62 115.69 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 0.61 -0.05 1.43 2.20 -0.45 -5.05 119.74 118.43 2shp s LYS 166 Ca 0.00 -0.40 0.06 0.00 -0.36 0.00 0.00 55.97 55.27 2shp s LYS 166 Cb 0.00 0.26 -0.01 0.00 -1.51 0.00 0.00 37.83 36.57 2shp s LYS 166 CO 0.00 -0.17 -0.23 0.08 -0.36 0.00 0.00 175.35 174.67 2shp s VAL 167 N -1.73 1.89 -0.01 4.02 1.01 -1.26 -0.79 120.40 123.54 2shp s VAL 167 Ca -0.11 -0.98 0.07 0.00 0.00 0.00 0.00 61.98 60.96 2shp s VAL 167 Cb -0.05 -1.61 -0.02 0.00 0.00 0.00 0.00 36.38 34.70 2shp s VAL 167 CO 0.01 0.53 -0.22 -0.89 0.00 0.00 0.00 175.10 174.53 2shp s THR 168 N -0.12 2.44 -0.17 3.92 2.01 0.28 -4.93 115.64 119.06 2shp s THR 168 Ca -0.03 -1.05 -0.02 0.00 0.31 0.00 0.00 61.69 60.90 2shp s THR 168 Cb -0.13 -1.92 -0.01 0.00 0.01 0.00 0.00 72.50 70.45 2shp s THR 168 CO 0.03 0.52 -0.09 -1.00 -0.69 0.00 0.00 174.62 173.40 2shp s HIS 169 N -0.71 2.89 -0.29 4.92 3.76 -1.26 -0.37 115.29 124.24 2shp s HIS 169 Ca 0.11 -0.74 -0.05 0.00 -0.15 0.00 0.00 55.06 54.23 2shp s HIS 169 Cb -0.10 -1.95 0.02 0.00 1.11 0.00 0.00 32.58 31.65 2shp s HIS 169 CO 0.01 -0.33 0.04 0.08 -0.85 0.00 0.00 174.74 173.69 2shp s VAL 170 N 0.78 3.62 0.24 -0.90 1.01 0.41 -4.96 120.40 120.61 2shp s VAL 170 Ca -0.03 -0.87 -0.31 0.00 0.00 0.00 0.00 61.98 60.77 2shp s VAL 170 Cb -0.15 -2.90 -0.14 0.00 0.00 0.00 0.00 36.38 33.19 2shp s VAL 170 CO 0.01 0.07 1.30 0.23 0.00 0.00 0.00 175.10 176.71 2shp n MET 171 N 4.80 1.77 -4.05 2.72 2.81 -1.26 -1.48 117.12 122.42 2shp n MET 171 Ca -0.15 0.63 -0.33 0.00 -1.81 0.00 0.00 57.70 56.04 2shp n MET 171 Cb 0.47 -2.21 -0.15 0.00 -0.71 0.00 0.00 33.22 30.62 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 -0.30 2.37 0.15 2.02 1.01 0.63 -4.51 121.20 122.57 2shp s ILE 172 Ca 0.67 -1.12 -0.24 0.00 0.00 0.00 0.00 60.65 59.96 2shp s ILE 172 Cb -0.69 -2.16 -0.08 0.00 0.01 0.00 0.00 42.46 39.54 2shp s ILE 172 CO 0.53 0.30 0.73 -0.60 0.00 0.00 0.00 174.94 175.89 2shp s ARG 173 N 1.26 4.48 -0.31 2.79 6.06 0.47 -0.71 118.95 132.98 2shp s ARG 173 Ca 0.00 1.06 0.00 0.00 -2.50 0.00 0.00 55.73 54.29 2shp s ARG 173 Cb -0.16 -3.25 0.07 0.00 0.06 0.00 0.00 34.95 31.68 2shp s ARG 173 CO -0.08 0.58 0.02 0.00 -2.50 0.00 0.00 175.30 173.32 2shp s GLN 175 N 1.15 2.16 -1.62 0.00 -0.21 -0.24 -4.75 119.66 116.15 2shp s GLN 175 Ca -0.01 -0.67 -0.07 0.00 0.02 0.00 0.00 55.36 54.63 2shp s GLN 175 Cb -0.20 -1.78 0.06 0.00 1.00 0.00 0.00 33.01 32.09 2shp s GLN 175 CO -0.04 0.21 0.24 0.39 -2.12 0.00 0.00 175.29 173.98 2shp n GLU 176 N 3.33 -1.37 -2.36 2.91 1.02 -1.26 -0.72 120.64 122.20 2shp n GLU 176 Ca -0.19 0.16 -0.19 0.00 -0.02 0.00 0.00 57.16 56.92 2shp n GLU 176 Cb 0.53 -4.07 -0.01 0.00 -0.02 0.00 0.00 31.44 27.86 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 -4.43 -1.73 -4.30 -4.62 7.94 -1.26 -4.99 117.00 103.60 2shp n LEU 177 Ca -0.20 0.06 -0.18 0.00 -1.11 0.00 0.00 56.01 54.58 2shp n LEU 177 Cb 0.63 -2.75 -0.11 0.00 0.53 0.00 0.00 43.42 41.72 2shp n LEU 177 CO 0.86 -0.25 -0.45 -0.54 -1.11 0.00 0.00 177.39 175.91 2shp s LYS 178 N -4.95 1.20 0.01 1.96 1.02 0.10 -4.81 119.74 114.28 2shp s LYS 178 Ca 0.00 -1.44 0.09 0.00 0.02 0.00 0.00 55.97 54.63 2shp s LYS 178 Cb 0.00 -1.04 -0.02 0.00 -0.52 0.00 0.00 37.83 36.25 2shp s LYS 178 CO 0.00 0.18 -0.26 0.71 -0.92 0.00 0.00 175.35 175.06 2shp s TYR 179 N -2.63 2.32 0.16 3.18 1.51 0.73 -1.08 117.35 121.55 2shp s TYR 179 Ca 0.17 -0.43 -0.11 0.00 -1.01 0.00 0.00 57.07 55.70 2shp s TYR 179 Cb -0.02 -1.45 0.00 0.00 -0.11 0.00 0.00 41.96 40.38 2shp s TYR 179 CO 0.05 0.04 0.32 0.16 -1.11 0.00 0.00 175.55 175.01 2shp s ASP 180 N -0.92 -0.01 -0.41 2.29 -4.77 -0.80 -0.59 116.67 111.46 2shp s ASP 180 Ca 0.11 -0.76 0.06 0.00 -3.30 0.00 0.00 52.55 48.65 2shp s ASP 180 Cb -0.10 0.45 0.68 0.00 -1.09 0.00 0.00 42.92 42.86 2shp s ASP 180 CO 0.00 -0.90 1.87 1.33 0.70 0.00 0.00 175.17 178.17 2shp n VAL 181 N -0.22 3.10 0.00 2.11 0.24 -1.26 -0.40 118.33 121.91 2shp n VAL 181 Ca -0.09 -1.90 0.00 0.00 -2.04 0.00 0.00 64.34 60.31 2shp n VAL 181 Cb 0.63 -0.43 0.00 0.00 -1.47 0.00 0.00 33.84 32.57 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 -0.89 2.12 3.58 7.63 0.00 -1.26 -4.89 105.19 111.48 2shp n GLY 182 Ca 0.54 0.00 0.03 0.00 0.00 0.00 0.00 46.02 46.58 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 -2.31 -0.45 0.00 -0.02 0.00 -1.26 -5.15 107.32 98.13 2shp s GLY 183 Ca 0.00 1.01 0.00 0.00 0.00 0.00 0.00 44.72 45.73 2shp s GLY 183 CO 0.00 0.22 0.00 0.61 0.00 0.00 0.00 173.10 173.93 2shp n GLY 184 N -0.44 0.49 3.78 0.20 0.00 -1.26 -4.91 105.19 103.04 2shp n GLY 184 Ca -0.08 -0.95 -0.37 0.00 0.00 0.00 0.00 46.02 44.62 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 4.32 -0.28 1.61 2.12 -1.26 -5.05 118.70 120.16 2shp s GLU 185 Ca 0.00 1.47 -0.04 0.00 0.36 0.00 0.00 54.97 56.76 2shp s GLU 185 Cb 0.00 -2.65 0.03 0.00 0.26 0.00 0.00 34.13 31.77 2shp s GLU 185 CO 0.00 0.01 0.01 1.03 -0.54 0.00 0.00 175.26 175.77 2shp s ARG 186 N -2.31 2.79 0.16 4.30 0.52 -1.26 -4.59 118.95 118.55 2shp s ARG 186 Ca 0.55 -1.03 -0.08 0.00 -0.52 0.00 0.00 55.73 54.65 2shp s ARG 186 Cb -0.21 -3.19 -0.06 0.00 0.52 0.00 0.00 34.95 32.01 2shp s ARG 186 CO 0.27 -0.49 0.45 -0.06 0.02 0.00 0.00 175.30 175.48 2shp s PHE 187 N 1.36 3.49 -0.60 -0.53 0.08 0.24 -4.80 117.98 117.22 2shp s PHE 187 Ca -0.01 0.73 0.25 0.00 0.12 0.00 0.00 56.93 58.02 2shp s PHE 187 Cb -0.18 -2.14 0.90 0.00 -0.57 0.00 0.00 43.02 41.03 2shp s PHE 187 CO -0.01 0.40 1.75 -0.25 -0.10 0.00 0.00 175.22 177.01 2shp n ASP 188 N 0.21 0.77 -3.75 1.36 9.92 -1.26 -0.19 116.55 123.61 2shp n ASP 188 Ca -0.03 0.62 -0.13 0.00 -0.53 0.00 0.00 54.79 54.73 2shp n ASP 188 Cb 0.52 -0.81 -0.08 0.00 -0.64 0.00 0.00 41.12 40.11 2shp n ASP 188 CO 0.00 0.00 0.00 -0.94 0.13 0.00 0.00 177.20 176.39 2shp s SER 189 N -4.44 -0.18 0.27 -2.24 1.04 -1.26 -4.83 113.70 102.06 2shp s SER 189 Ca 0.07 -0.02 -0.01 0.00 0.48 0.00 0.00 55.95 56.48 2shp s SER 189 Cb 0.11 0.34 0.48 0.00 0.10 0.00 0.00 66.02 67.04 2shp s SER 189 CO 0.50 -0.53 1.84 -0.07 0.98 0.00 0.00 173.24 175.96 2shp h LEU 190 N 3.56 0.87 -0.90 2.42 3.38 -1.88 -1.80 115.31 120.96 2shp h LEU 190 Ca -0.30 0.04 0.01 0.00 0.09 0.00 0.00 57.88 57.72 2shp h LEU 190 Cb 1.19 -0.14 -0.05 0.00 0.09 0.00 0.00 40.66 41.75 2shp h LEU 190 CO 0.43 0.49 0.60 0.74 0.09 0.00 0.00 178.44 180.78 2shp h THR 191 N 0.97 1.22 -0.57 0.22 2.02 -1.95 0.62 112.91 115.45 2shp h THR 191 Ca 0.45 -0.42 -0.11 0.00 0.77 0.00 0.00 66.41 67.11 2shp h THR 191 Cb 0.39 -0.09 -0.02 0.00 -1.74 0.00 0.00 68.15 66.68 2shp h THR 191 CO -0.24 0.22 -0.07 0.44 0.37 0.00 0.00 175.52 176.24 2shp h ASP 192 N 1.21 1.05 -0.09 4.18 3.32 -1.77 0.15 116.42 124.47 2shp h ASP 192 Ca 0.33 -0.33 0.02 0.00 0.02 0.00 0.00 57.03 57.07 2shp h ASP 192 Cb -0.13 -0.28 -0.02 0.00 0.22 0.00 0.00 39.33 39.12 2shp h ASP 192 CO -0.08 1.13 -0.05 0.25 -1.72 0.00 0.00 179.24 178.78 2shp h LEU 193 N 0.95 -0.15 -0.51 1.55 6.46 -0.75 -0.50 115.31 122.36 2shp h LEU 193 Ca 0.15 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.89 2shp h LEU 193 Cb 0.64 0.09 -0.02 0.00 -0.73 0.00 0.00 40.66 40.63 2shp h LEU 193 CO 0.04 -0.06 0.09 0.58 -0.62 0.00 0.00 178.44 178.47 2shp h VAL 194 N -0.04 1.25 -0.69 1.05 2.07 -0.58 -1.58 116.25 117.72 2shp h VAL 194 Ca 0.05 -0.91 -0.05 0.00 0.82 0.00 0.00 66.70 66.61 2shp h VAL 194 Cb 0.12 0.86 -0.03 0.00 -1.52 0.00 0.00 31.29 30.72 2shp h VAL 194 CO -0.12 0.33 0.25 -0.33 0.02 0.00 0.00 177.57 177.72 2shp h GLU 195 N 0.72 1.04 -0.38 1.57 4.39 -0.44 0.22 114.58 121.70 2shp h GLU 195 Ca 0.16 -0.19 -0.05 0.00 0.34 0.00 0.00 59.36 59.62 2shp h GLU 195 Cb 0.38 -0.17 -0.01 0.00 -0.10 0.00 0.00 28.75 28.85 2shp h GLU 195 CO 0.01 0.87 0.05 1.25 -1.16 0.00 0.00 179.01 180.03 2shp h HIS 196 N 1.01 0.67 -0.01 4.33 2.76 -0.66 -2.13 115.15 121.12 2shp h HIS 196 Ca 0.23 -0.10 0.00 0.00 -2.20 0.00 0.00 60.37 58.30 2shp h HIS 196 Cb 0.23 -0.18 0.00 0.00 1.55 0.00 0.00 27.41 29.01 2shp h HIS 196 CO 0.02 0.68 -0.22 0.66 -1.30 0.00 0.00 177.93 177.77 2shp n TYR 197 N -4.54 0.00 -0.06 5.26 4.01 -0.63 -0.41 117.16 120.78 2shp n TYR 197 Ca -0.01 0.00 -0.13 0.00 -0.16 0.00 0.00 57.90 57.60 2shp n TYR 197 Cb 0.24 -0.16 -0.02 0.00 -0.31 0.00 0.00 39.34 39.09 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 0.88 0.81 0.00 -0.72 1.57 -0.19 -3.21 116.57 115.72 2shp h LYS 198 Ca 0.00 -0.50 -0.26 0.00 -1.87 0.00 0.00 60.65 58.02 2shp h LYS 198 Cb 0.46 0.06 -0.04 0.00 0.08 0.00 0.00 32.23 32.78 2shp h LYS 198 CO 0.00 1.14 -1.43 0.87 -0.57 0.00 0.00 179.45 179.45 2shp h LYS 199 N 0.63 0.00 -2.65 3.15 1.57 -1.24 -3.41 116.57 114.60 2shp h LYS 199 Ca 0.02 0.00 -0.61 0.00 -1.87 0.00 0.00 60.65 58.19 2shp h LYS 199 Cb 1.13 0.00 -0.42 0.00 0.08 0.00 0.00 32.23 33.02 2shp h LYS 199 CO 0.12 0.68 -0.64 0.09 -0.57 0.00 0.00 179.45 179.13 2shp n ASN 200 N -3.16 2.90 -4.69 0.86 4.13 0.45 -5.09 115.26 110.66 2shp n ASN 200 Ca -0.10 -3.21 -0.42 0.00 1.68 0.00 0.00 54.58 52.52 2shp n ASN 200 Cb 1.01 -0.71 -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 -2.84 0.28 0.00 0.00 177.26 174.70 2shp s PRO 201 N -1.72 4.14 0.13 3.52 0.02 -1.21 -4.51 135.00 135.37 2shp s PRO 201 Ca 0.31 2.60 -0.35 0.00 0.02 0.00 0.00 61.00 63.58 2shp s PRO 201 Cb 0.04 -3.65 -0.16 0.00 0.02 0.00 0.00 34.50 30.76 2shp s PRO 201 CO -0.11 -0.85 1.39 -1.33 -0.33 0.00 0.00 177.00 175.76 2shp n MET 202 N 5.86 1.48 -4.39 5.54 2.81 -1.26 -4.76 117.12 122.40 2shp n MET 202 Ca 0.18 0.53 -0.34 0.00 -1.81 0.00 0.00 57.70 56.27 2shp n MET 202 Cb 0.38 -2.19 -0.12 0.00 -0.71 0.00 0.00 33.22 30.58 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 0.48 3.96 0.18 2.03 1.01 -1.26 -0.57 120.40 126.22 2shp s VAL 203 Ca 0.80 -0.34 -0.30 0.00 0.00 0.00 0.00 61.98 62.15 2shp s VAL 203 Cb -0.85 -2.73 -0.08 0.00 0.00 0.00 0.00 36.38 32.73 2shp s VAL 203 CO 0.45 0.50 1.15 -1.61 0.00 0.00 0.00 175.10 175.59 2shp s GLU 204 N 0.24 4.54 -0.86 2.72 2.02 0.87 -4.92 118.70 123.31 2shp s GLU 204 Ca -0.02 1.79 -0.24 0.00 0.02 0.00 0.00 54.97 56.52 2shp s GLU 204 Cb -0.14 -3.26 -0.18 0.00 0.10 0.00 0.00 34.13 30.65 2shp s GLU 204 CO 0.03 -0.01 2.25 -2.37 0.02 0.00 0.00 175.26 175.18 2shp n THR 205 N 2.47 0.00 0.00 3.63 5.66 -1.26 -0.11 114.28 124.67 2shp n THR 205 Ca 0.04 -0.35 0.00 0.00 -3.05 0.00 0.00 64.05 60.68 2shp n THR 205 Cb 0.45 -1.75 0.00 0.00 -1.55 0.00 0.00 70.33 67.48 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 17.52 0.00 0.00 1.09 -0.00 -1.26 -4.96 117.00 129.39 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 0.42 0.00 0.00 0.00 -0.00 0.00 0.00 43.42 43.84 2shp n LEU 206 CO 0.60 0.00 0.00 0.61 -0.00 0.00 0.00 177.39 178.60 2shp n GLY 207 N 0.00 1.37 3.70 -3.96 0.00 0.85 -5.10 105.19 102.04 2shp n GLY 207 Ca 0.00 -0.08 -0.43 0.00 0.00 0.00 0.00 46.02 45.51 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 -3.28 2.61 -1.04 -1.25 -4.63 114.28 106.83 2shp n THR 208 Ca 0.00 -0.03 -0.42 0.00 -2.04 0.00 0.00 64.05 61.57 2shp n THR 208 Cb 0.00 -1.92 -0.08 0.00 -1.82 0.00 0.00 70.33 66.51 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 5.05 -1.21 12.58 1.01 -1.26 -0.09 120.40 138.22 2shp s VAL 209 Ca 0.79 0.08 -0.18 0.00 0.00 0.00 0.00 61.98 62.67 2shp s VAL 209 Cb -0.55 -3.98 -0.02 0.00 0.00 0.00 0.00 36.38 31.83 2shp s VAL 209 CO 0.36 -0.29 2.03 0.18 0.00 0.00 0.00 175.10 177.39 2shp n LEU 210 N 5.69 5.40 -4.67 3.92 4.77 0.27 -4.95 117.00 127.43 2shp n LEU 210 Ca -0.06 -3.66 -0.43 0.00 -0.03 0.00 0.00 56.01 51.84 2shp n LEU 210 Cb 0.48 -1.53 -0.02 0.00 -2.33 0.00 0.00 43.42 40.02 2shp n LEU 210 CO 0.45 0.26 1.11 -1.10 -1.33 0.00 0.00 177.39 176.78 2shp s GLN 211 N 4.19 4.25 -0.98 3.23 -0.21 -1.26 -4.27 119.66 124.60 2shp s GLN 211 Ca 0.53 1.80 -0.16 0.00 0.02 0.00 0.00 55.36 57.55 2shp s GLN 211 Cb 0.11 -3.73 0.16 0.00 1.00 0.00 0.00 33.01 30.55 2shp s GLN 211 CO 0.02 -0.66 1.14 -0.51 -2.12 0.00 0.00 175.29 173.16 2shp s LEU 212 N 3.17 5.37 -0.13 2.90 1.43 -1.26 -4.06 118.68 126.10 2shp s LEU 212 Ca 0.59 -2.43 -0.10 0.00 -1.03 0.00 0.00 54.13 51.17 2shp s LEU 212 Cb -0.26 -2.36 -0.07 0.00 0.03 0.00 0.00 46.19 43.53 2shp s LEU 212 CO 0.20 -0.88 0.09 0.11 0.23 0.00 0.00 176.35 176.10 2shp h LYS 213 N 8.20 0.00 -3.59 1.70 1.57 -1.36 -3.45 116.57 119.64 2shp h LYS 213 Ca 0.19 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 33.07 2shp h LYS 213 CO 1.08 0.28 -0.56 1.14 -0.57 0.00 0.00 179.45 180.82 2shp s GLN 214 N -1.97 0.35 0.73 3.15 0.00 -1.11 -5.02 119.66 115.79 2shp s GLN 214 Ca -0.11 -0.28 -0.14 0.00 -0.00 0.00 0.00 55.36 54.83 2shp s GLN 214 Cb 0.01 0.14 0.04 0.00 0.00 0.00 0.00 33.01 33.21 2shp s GLN 214 CO 0.25 -0.07 1.16 -2.14 0.00 0.00 0.00 175.29 174.48 2shp s PRO 215 N -0.99 2.22 0.12 9.60 0.02 -1.26 -1.86 135.00 142.85 2shp s PRO 215 Ca -0.11 1.55 -0.31 0.00 0.02 0.00 0.00 61.00 62.15 2shp s PRO 215 Cb -0.06 -1.86 -0.10 0.00 0.02 0.00 0.00 34.50 32.49 2shp s PRO 215 CO 0.01 -1.73 1.84 -1.17 -0.33 0.00 0.00 177.00 175.62 2shp s LEU 216 N -5.32 4.40 -0.07 -5.54 2.96 0.20 -4.66 118.68 110.65 2shp s LEU 216 Ca 0.70 2.76 -0.30 0.00 -0.22 0.00 0.00 54.13 57.07 2shp s LEU 216 Cb -0.24 -3.57 -0.05 0.00 0.50 0.00 0.00 46.19 42.83 2shp s LEU 216 CO 0.47 -1.01 1.56 0.21 -1.32 0.00 0.00 176.35 176.26 2shp s ASN 217 N 2.78 6.73 -0.01 3.68 3.84 -1.26 -4.86 114.94 125.84 2shp s ASN 217 Ca 0.81 2.14 0.03 0.00 0.21 0.00 0.00 52.86 56.05 2shp s ASN 217 Cb -0.46 -2.54 0.08 0.00 -0.55 0.00 0.00 41.25 37.78 2shp s ASN 217 CO 0.37 -0.88 1.06 0.35 -2.79 0.00 0.00 177.10 175.21 2shp n THR 218 N 5.36 1.08 0.00 -5.21 -2.24 -1.26 -4.77 114.28 107.25 2shp n THR 218 Ca 0.16 -1.10 0.00 0.00 -2.27 0.00 0.00 64.05 60.84 2shp n THR 218 Cb 0.43 0.44 0.00 0.00 -2.10 0.00 0.00 70.33 69.10 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 -0.40 0.00 -1.89 4.28 -2.24 -1.26 -4.99 114.28 107.77 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 0.31 -0.51 -0.03 0.00 -2.10 0.00 0.00 70.33 68.01 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 -1.99 4.19 0.36 -0.78 3.52 -1.26 -4.55 118.95 118.44 2shp s ARG 220 Ca 0.00 2.40 0.05 0.00 -0.13 0.00 0.00 55.73 58.05 2shp s ARG 220 Cb 0.00 -3.36 -0.07 0.00 -1.56 0.00 0.00 34.95 29.96 2shp s ARG 220 CO 0.00 -0.69 0.04 0.96 -0.81 0.00 0.00 175.30 174.80 2shp s ILE 221 N 1.87 1.44 -0.08 4.11 -4.36 0.11 -4.97 121.20 119.32 2shp s ILE 221 Ca 0.73 -2.00 -0.28 0.00 -0.26 0.00 0.00 60.65 58.84 2shp s ILE 221 Cb -0.43 -2.84 -0.02 0.00 1.25 0.00 0.00 42.46 40.42 2shp s ILE 221 CO 0.32 0.00 0.93 0.21 0.24 0.00 0.00 174.94 176.65 2shp s ASN 222 N -3.57 7.20 0.23 4.36 2.47 -1.26 -0.65 114.94 123.71 2shp s ASN 222 Ca 0.35 1.46 -0.07 0.00 0.42 0.00 0.00 52.86 55.03 2shp s ASN 222 Cb 0.09 -2.53 0.36 0.00 -1.45 0.00 0.00 41.25 37.72 2shp s ASN 222 CO 0.16 -0.35 1.75 0.00 -3.72 0.00 0.00 177.10 174.94 2shp h ALA 223 N 7.02 0.93 -0.60 1.71 0.00 0.07 0.22 119.26 128.61 2shp h ALA 223 Ca -0.34 0.09 0.17 0.00 0.00 0.00 0.00 54.91 54.83 2shp h ALA 223 Cb 1.17 0.05 -0.02 0.00 0.00 0.00 0.00 17.79 18.98 2shp h ALA 223 CO 0.81 -0.17 0.70 0.00 0.00 0.00 0.00 179.25 180.59 2shp h ALA 224 N 1.47 2.37 -0.65 0.00 0.00 -0.90 -2.11 119.26 119.44 2shp h ALA 224 Ca 0.36 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.25 2shp h ALA 224 Cb 0.47 0.05 0.00 0.00 0.00 0.00 0.00 17.79 18.31 2shp h ALA 224 CO -0.34 -1.01 0.00 0.39 0.00 0.00 0.00 179.25 178.30 2shp n GLU 225 N -3.52 2.74 0.09 0.00 1.02 0.77 -4.67 120.64 117.06 2shp n GLU 225 Ca 0.12 -2.53 0.13 0.00 -0.02 0.00 0.00 57.16 54.86 2shp n GLU 225 Cb 0.91 -1.51 0.62 0.00 -0.02 0.00 0.00 31.44 31.44 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 3.88 0.89 -0.68 -3.67 2.10 -1.39 -1.05 117.51 117.59 2shp h ILE 226 Ca 0.00 -0.04 -0.06 0.00 1.08 0.00 0.00 64.86 65.85 2shp h ILE 226 Cb 0.94 0.78 -0.03 0.00 -1.09 0.00 0.00 36.82 37.42 2shp h ILE 226 CO 0.00 0.02 0.19 -0.08 -1.08 0.00 0.00 178.15 177.20 2shp h GLU 227 N 0.11 1.06 -0.35 2.19 4.81 -1.85 0.30 114.58 120.85 2shp h GLU 227 Ca 0.15 -0.23 -0.14 0.00 -0.13 0.00 0.00 59.36 59.01 2shp h GLU 227 Cb 0.46 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2shp h GLU 227 CO -0.02 0.92 -0.34 1.03 -0.73 0.00 0.00 179.01 179.87 2shp h SER 228 N 1.01 0.90 -0.35 1.04 0.87 -1.56 -1.56 113.55 113.90 2shp h SER 228 Ca 0.22 -0.47 0.04 0.00 -1.23 0.00 0.00 61.79 60.35 2shp h SER 228 Cb 0.32 -0.25 -0.04 0.00 -0.44 0.00 0.00 62.40 61.99 2shp h SER 228 CO -0.00 1.18 0.14 -0.09 -0.53 0.00 0.00 176.83 177.53 2shp h ARG 229 N 0.64 0.29 -0.78 2.24 9.65 -1.16 -0.73 114.38 124.53 2shp h ARG 229 Ca 0.06 -0.02 -0.02 0.00 -1.10 0.00 0.00 59.98 58.90 2shp h ARG 229 Cb 0.93 -0.06 -0.04 0.00 -1.39 0.00 0.00 29.97 29.41 2shp h ARG 229 CO 0.09 0.19 0.42 0.28 2.80 0.00 0.00 179.97 183.75 2shp h VAL 230 N 0.30 1.24 -0.33 0.20 2.07 -0.26 -0.06 116.25 119.41 2shp h VAL 230 Ca 0.16 -0.59 0.03 0.00 0.82 0.00 0.00 66.70 67.11 2shp h VAL 230 Cb 0.11 0.20 -0.03 0.00 -1.52 0.00 0.00 31.29 30.06 2shp h VAL 230 CO -0.15 0.26 0.14 -0.09 0.02 0.00 0.00 177.57 177.76 2shp h ARG 231 N 1.08 0.30 -0.97 1.57 2.43 -0.89 0.11 114.38 118.00 2shp h ARG 231 Ca 0.27 -0.02 0.04 0.00 -0.81 0.00 0.00 59.98 59.46 2shp h ARG 231 Cb 0.04 -0.07 -0.06 0.00 -0.42 0.00 0.00 29.97 29.47 2shp h ARG 231 CO -0.04 0.20 0.64 0.93 -1.51 0.00 0.00 179.97 180.18 2shp h GLU 232 N 0.30 1.20 0.00 0.20 5.08 -0.51 -2.67 114.58 118.18 2shp h GLU 232 Ca 0.14 -0.07 -0.07 0.00 -1.00 0.00 0.00 59.36 58.36 2shp h GLU 232 Cb 0.08 -0.27 -0.01 0.00 0.50 0.00 0.00 28.75 29.05 2shp h GLU 232 CO -0.12 0.79 -0.50 -0.07 -1.00 0.00 0.00 179.01 178.11 2shp h LEU 233 N 1.23 0.00 -0.26 1.33 3.38 -0.30 -3.36 115.31 117.34 2shp h LEU 233 Ca 0.39 0.00 -0.20 0.00 0.09 0.00 0.00 57.88 58.15 2shp h LEU 233 Cb 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 2shp h LEU 233 CO -0.12 0.32 -0.89 0.28 0.09 0.00 0.00 178.44 178.13 2shp h SER 234 N 0.00 0.30 -1.99 -0.43 0.02 -0.45 0.41 113.55 111.42 2shp h SER 234 Ca -0.02 -0.25 -0.68 0.00 -0.84 0.00 0.00 61.79 60.00 2shp h SER 234 Cb 1.27 -0.09 -0.35 0.00 0.14 0.00 0.00 62.40 63.36 2shp h SER 234 CO 0.04 1.05 0.12 0.29 -1.14 0.00 0.00 176.83 177.19 2shp n LYS 235 N -3.67 3.66 0.00 3.45 4.01 -1.22 -4.94 118.16 119.45 2shp n LYS 235 Ca -0.04 -4.39 0.00 0.00 -0.51 0.00 0.00 58.31 53.36 2shp n LYS 235 Cb 0.81 -2.30 0.00 0.00 -0.51 0.00 0.00 35.03 33.03 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 -0.34 0.31 0.35 0.72 0.00 0.14 -4.89 105.19 101.47 2shp n GLY 246 Ca 0.42 0.00 0.10 0.00 0.00 0.00 0.00 46.02 46.54 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 1.05 -0.55 1.61 0.04 -1.66 -2.76 116.94 114.66 2shp h PHE 247 Ca 0.00 0.03 0.02 0.00 2.80 0.00 0.00 57.97 60.83 2shp h PHE 247 Cb 0.00 -0.32 -0.04 0.00 2.20 0.00 0.00 35.95 37.79 2shp h PHE 247 CO 0.00 0.31 0.33 2.35 -0.60 0.00 0.00 178.31 180.71 2shp h TRP 248 N 0.83 0.62 -0.44 -0.55 7.01 -1.97 -1.72 115.95 119.74 2shp h TRP 248 Ca 0.53 0.02 -0.04 0.00 2.11 0.00 0.00 58.89 61.50 2shp h TRP 248 Cb 0.70 -0.20 -0.02 0.00 -2.10 0.00 0.00 29.16 27.54 2shp h TRP 248 CO -0.02 0.36 0.10 0.93 -2.79 0.00 0.00 178.44 177.02 2shp h GLU 249 N 0.66 0.70 -0.14 2.65 3.07 -1.92 -1.01 114.58 118.59 2shp h GLU 249 Ca 0.22 -0.17 -0.07 0.00 -0.50 0.00 0.00 59.36 58.84 2shp h GLU 249 Cb 0.02 -0.09 -0.01 0.00 -0.84 0.00 0.00 28.75 27.83 2shp h GLU 249 CO -0.10 0.71 -0.23 1.49 -1.40 0.00 0.00 179.01 179.48 2shp h GLU 250 N 0.57 0.25 -0.18 2.33 4.81 -1.42 -1.77 114.58 119.17 2shp h GLU 250 Ca 0.14 -0.08 -0.04 0.00 -0.13 0.00 0.00 59.36 59.25 2shp h GLU 250 Cb 0.33 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 29.68 2shp h GLU 250 CO 0.00 0.48 -0.03 0.35 -0.73 0.00 0.00 179.01 179.08 2shp h PHE 251 N 0.23 0.38 -0.22 0.92 3.57 -0.95 -2.51 116.94 118.36 2shp h PHE 251 Ca 0.04 -0.08 -0.07 0.00 3.53 0.00 0.00 57.97 61.39 2shp h PHE 251 Cb 0.54 -0.09 -0.01 0.00 2.79 0.00 0.00 35.95 39.17 2shp h PHE 251 CO 0.01 0.59 -0.19 0.93 -2.23 0.00 0.00 178.31 177.42 2shp h GLU 252 N 0.06 0.38 -0.14 1.11 4.39 -1.01 0.14 114.58 119.51 2shp h GLU 252 Ca 0.05 -0.12 -0.10 0.00 0.34 0.00 0.00 59.36 59.53 2shp h GLU 252 Cb 0.46 -0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.06 2shp h GLU 252 CO 0.02 0.56 -0.37 1.15 -1.16 0.00 0.00 179.01 179.21 2shp h THR 253 N 0.35 1.29 -0.27 1.13 2.02 -1.34 -1.50 112.91 114.59 2shp h THR 253 Ca 0.06 -1.44 -0.13 0.00 0.77 0.00 0.00 66.41 65.67 2shp h THR 253 Cb 0.54 1.60 -0.00 0.00 -1.74 0.00 0.00 68.15 68.54 2shp h THR 253 CO 0.04 0.44 -0.34 0.25 0.37 0.00 0.00 175.52 176.27 2shp h LEU 254 N 0.25 0.77 -0.53 2.58 5.85 -0.94 -3.30 115.31 119.99 2shp h LEU 254 Ca 0.03 -0.49 0.02 0.00 0.84 0.00 0.00 57.88 58.28 2shp h LEU 254 Cb 0.77 -0.22 -0.03 0.00 0.37 0.00 0.00 40.66 41.55 2shp h LEU 254 CO 0.06 1.11 0.32 1.56 -0.34 0.00 0.00 178.44 181.15 2shp h GLN 255 N 0.45 0.62 -0.04 1.25 1.08 -0.47 -2.53 115.11 115.46 2shp h GLN 255 Ca 0.04 -0.04 0.01 0.00 -1.45 0.00 0.00 58.65 57.21 2shp h GLN 255 Cb 0.92 -0.14 -0.00 0.00 -0.05 0.00 0.00 27.48 28.21 2shp h GLN 255 CO 0.08 0.41 0.35 0.37 -0.95 0.00 0.00 178.83 179.09 2shp h GLN 256 N 0.64 0.00 -0.01 1.46 5.75 -1.36 -0.43 115.11 121.15 2shp h GLN 256 Ca 0.21 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.71 2shp h GLN 256 Cb 0.02 0.00 0.00 0.00 1.07 0.00 0.00 27.48 28.57 2shp h GLN 256 CO -0.09 0.00 -0.08 1.04 -2.65 0.00 0.00 178.83 177.05 2shp n GLN 257 N -2.97 1.41 0.26 1.69 6.02 -0.95 -4.05 117.38 118.78 2shp n GLN 257 Ca -0.01 -0.82 0.15 0.00 -0.01 0.00 0.00 57.00 56.31 2shp n GLN 257 Cb 0.41 -1.48 0.58 0.00 1.02 0.00 0.00 30.24 30.77 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 2.01 0.00 -0.08 -1.09 4.11 -1.19 -2.48 114.58 115.86 2shp h GLU 258 Ca 0.00 0.00 0.02 0.00 0.07 0.00 0.00 59.36 59.45 2shp h GLU 258 Cb 0.51 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.75 2shp h GLU 258 CO 0.00 0.04 0.17 0.00 0.07 0.00 0.00 179.01 179.29 2shp n LYS 260 N -3.39 0.08 -0.72 0.00 5.02 -0.93 -3.94 118.16 114.28 2shp n LYS 260 Ca -0.01 0.16 -0.02 0.00 -2.02 0.00 0.00 58.31 56.43 2shp n LYS 260 Cb 0.26 -1.61 0.21 0.00 -0.02 0.00 0.00 35.03 33.88 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 -1.75 4.20 -3.07 -0.35 4.77 0.12 -4.81 117.00 116.11 2shp n LEU 261 Ca 0.05 -3.55 -0.34 0.00 -0.03 0.00 0.00 56.01 52.15 2shp n LEU 261 Cb 0.30 -0.62 -0.04 0.00 -2.33 0.00 0.00 43.42 40.73 2shp n LEU 261 CO 0.24 1.08 2.49 0.18 -1.33 0.00 0.00 177.39 180.04 2shp n LEU 262 N -0.96 7.66 -4.79 2.23 4.77 -1.25 -4.95 117.00 119.70 2shp n LEU 262 Ca 0.31 -4.37 -0.30 0.00 -0.03 0.00 0.00 56.01 51.63 2shp n LEU 262 Cb 1.03 -1.41 0.09 0.00 -2.33 0.00 0.00 43.42 40.80 2shp n LEU 262 CO 0.20 1.97 0.71 -0.31 -1.33 0.00 0.00 177.39 178.63 2shp s TYR 263 N 0.09 2.78 0.30 -1.77 2.02 -1.26 -4.98 117.35 114.52 2shp s TYR 263 Ca 0.62 1.20 -0.29 0.00 -0.37 0.00 0.00 57.07 58.23 2shp s TYR 263 Cb 0.23 -3.10 -0.09 0.00 -0.40 0.00 0.00 41.96 38.60 2shp s TYR 263 CO -0.09 -1.81 1.07 -1.54 -1.57 0.00 0.00 175.55 171.61 2shp s SER 264 N -3.81 7.22 -0.42 2.29 1.04 -1.26 -4.93 113.70 113.83 2shp s SER 264 Ca 0.61 2.19 0.09 0.00 0.48 0.00 0.00 55.95 59.32 2shp s SER 264 Cb -0.15 -2.62 0.42 0.00 0.10 0.00 0.00 66.02 63.77 2shp s SER 264 CO 0.55 -0.17 1.01 0.54 0.98 0.00 0.00 173.24 176.15 2shp n ARG 265 N 0.99 2.51 0.09 4.02 3.00 -1.26 -0.99 116.66 125.03 2shp n ARG 265 Ca -0.00 -4.09 -0.13 0.00 -0.01 0.00 0.00 57.85 53.62 2shp n ARG 265 Cb 0.46 -1.90 -0.08 0.00 0.00 0.00 0.00 32.46 30.94 2shp n ARG 265 CO 0.00 0.00 0.00 0.87 0.00 0.00 0.00 177.63 178.50 2shp h LYS 266 N 2.80 -0.16 -0.92 5.56 6.56 -1.93 -3.09 116.57 125.38 2shp h LYS 266 Ca 0.14 0.01 0.10 0.00 -1.06 0.00 0.00 60.65 59.84 2shp h LYS 266 Cb 0.94 0.04 -0.08 0.00 -0.57 0.00 0.00 32.23 32.57 2shp h LYS 266 CO 0.71 -0.02 0.56 0.93 -2.06 0.00 0.00 179.45 179.58 2shp h GLU 267 N -0.28 0.91 0.00 3.15 4.39 -1.92 0.12 114.58 120.95 2shp h GLU 267 Ca -0.02 -0.05 0.00 0.00 0.34 0.00 0.00 59.36 59.63 2shp h GLU 267 Cb 0.22 -0.21 0.00 0.00 -0.10 0.00 0.00 28.75 28.67 2shp h GLU 267 CO 0.03 0.60 0.00 0.78 -1.16 0.00 0.00 179.01 179.26 2shp h GLY 268 N 0.94 0.00 1.13 -3.84 0.00 -1.84 -2.27 103.07 97.19 2shp h GLY 268 Ca 0.44 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.77 2shp h GLY 268 CO -0.23 0.00 -0.59 -1.06 0.00 0.00 0.00 176.54 174.66 2shp n GLN 269 N -2.79 0.21 -1.90 4.80 6.02 0.39 -4.44 117.38 119.68 2shp n GLN 269 Ca 0.00 0.06 -0.36 0.00 -0.01 0.00 0.00 57.00 56.69 2shp n GLN 269 Cb 0.24 -1.63 0.05 0.00 1.02 0.00 0.00 30.24 29.92 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 -3.12 2.80 0.17 -1.09 0.52 -0.85 -4.81 118.95 112.57 2shp s ARG 270 Ca 0.08 1.90 -0.14 0.00 -0.52 0.00 0.00 55.73 57.05 2shp s ARG 270 Cb 0.15 -1.90 0.08 0.00 0.52 0.00 0.00 34.95 33.80 2shp s ARG 270 CO 0.71 -1.36 1.83 0.37 0.02 0.00 0.00 175.30 176.87 2shp h GLN 271 N 0.73 0.64 0.00 3.54 5.75 -1.93 -1.08 115.11 122.76 2shp h GLN 271 Ca -0.51 -0.04 0.00 0.00 -0.15 0.00 0.00 58.65 57.96 2shp h GLN 271 Cb 1.31 -0.14 0.00 0.00 1.07 0.00 0.00 27.48 29.72 2shp h GLN 271 CO 0.54 0.42 0.00 0.93 -2.65 0.00 0.00 178.83 178.08 2shp h GLU 272 N 0.66 0.00 -0.00 1.69 3.07 -1.95 -2.89 114.58 115.16 2shp h GLU 272 Ca 0.20 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 59.06 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 -0.07 0.00 -0.64 0.09 -1.40 0.00 0.00 179.01 176.99 2shp n ASN 273 N -2.81 0.76 -0.10 1.42 3.02 -0.47 -4.68 115.26 112.39 2shp n ASN 273 Ca -0.01 -0.88 -0.06 0.00 -0.03 0.00 0.00 54.58 53.60 2shp n ASN 273 Cb 0.13 0.95 0.01 0.00 -0.61 0.00 0.00 39.78 40.25 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 0.16 -0.00 -0.12 3.52 1.57 -1.16 -0.97 116.57 119.57 2shp h LYS 274 Ca 0.00 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.78 2shp h LYS 274 Cb 0.35 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.67 2shp h LYS 274 CO 0.00 -0.00 0.00 0.27 -0.57 0.00 0.00 179.45 179.15 2shp n ASN 275 N -5.29 1.21 -0.17 0.86 6.94 -1.26 -2.60 115.26 114.95 2shp n ASN 275 Ca 0.01 -1.63 0.15 0.00 -0.02 0.00 0.00 54.58 53.09 2shp n ASN 275 Cb 0.20 -0.07 0.73 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 0.02 1.08 -4.17 -3.83 5.02 -0.37 -4.83 118.16 111.08 2shp n LYS 276 Ca 0.16 -0.34 -0.34 0.00 -2.02 0.00 0.00 58.31 55.76 2shp n LYS 276 Cb 0.26 -1.49 -0.10 0.00 -0.02 0.00 0.00 35.03 33.67 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 -2.15 5.38 0.22 4.39 0.01 -1.07 -4.54 114.94 117.18 2shp s ASN 277 Ca 0.39 0.06 -0.04 0.00 -0.71 0.00 0.00 52.86 52.57 2shp s ASN 277 Cb 0.21 -1.82 0.20 0.00 0.41 0.00 0.00 41.25 40.24 2shp s ASN 277 CO 0.39 0.23 1.62 -0.09 -1.51 0.00 0.00 177.10 177.74 2shp h ARG 278 N 6.28 0.72 -4.46 -0.60 2.43 -1.88 -3.39 114.38 113.48 2shp h ARG 278 Ca -0.39 -0.31 -0.59 0.00 -0.81 0.00 0.00 59.98 57.88 2shp h ARG 278 Cb 1.18 -0.02 -0.37 0.00 -0.42 0.00 0.00 29.97 30.34 2shp h ARG 278 CO 0.65 0.91 -0.81 0.71 -1.51 0.00 0.00 179.97 179.92 2shp s TYR 279 N -4.52 2.08 0.30 2.20 2.02 -1.26 -5.04 117.35 113.13 2shp s TYR 279 Ca -0.09 -1.29 0.08 0.00 -0.37 0.00 0.00 57.07 55.40 2shp s TYR 279 Cb 0.13 -1.51 0.88 0.00 -0.40 0.00 0.00 41.96 41.06 2shp s TYR 279 CO 0.83 -0.67 1.43 0.36 -1.57 0.00 0.00 175.55 175.94 2shp n LYS 280 N 4.78 -0.07 -0.14 -0.62 0.00 -1.26 -1.46 118.16 119.39 2shp n LYS 280 Ca -0.14 1.33 0.12 0.00 -0.00 0.00 0.00 58.31 59.61 2shp n LYS 280 Cb 0.48 -2.20 0.18 0.00 -0.00 0.00 0.00 35.03 33.49 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 -5.25 3.32 -4.22 -5.58 3.02 -1.26 -4.75 115.26 100.54 2shp n ASN 281 Ca 0.26 -1.98 -0.42 0.00 -0.03 0.00 0.00 54.58 52.41 2shp n ASN 281 Cb 0.87 -0.19 -0.07 0.00 -0.61 0.00 0.00 39.78 39.78 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 -1.58 4.45 0.17 2.41 1.01 -0.53 -4.54 121.20 122.59 2shp s ILE 282 Ca 0.35 -1.99 0.09 0.00 0.00 0.00 0.00 60.65 59.10 2shp s ILE 282 Cb 0.22 -3.89 -0.04 0.00 0.01 0.00 0.00 42.46 38.75 2shp s ILE 282 CO 0.31 -0.83 -0.19 -0.76 0.00 0.00 0.00 174.94 173.46 2shp s LEU 283 N 1.05 2.44 0.29 2.97 1.43 -1.26 -4.69 118.68 120.91 2shp s LEU 283 Ca 0.08 -0.86 -0.28 0.00 -1.03 0.00 0.00 54.13 52.04 2shp s LEU 283 Cb -0.24 -0.87 -0.09 0.00 0.03 0.00 0.00 46.19 45.01 2shp s LEU 283 CO -0.02 -0.01 0.99 -2.16 0.23 0.00 0.00 176.35 175.38 2shp s PRO 284 N -2.77 4.66 0.31 1.29 0.04 -1.26 -4.59 135.00 132.68 2shp s PRO 284 Ca 0.16 1.53 -0.30 0.00 0.04 0.00 0.00 61.00 62.44 2shp s PRO 284 Cb -0.06 -3.06 -0.12 0.00 0.04 0.00 0.00 34.50 31.30 2shp s PRO 284 CO 0.07 0.31 1.48 1.19 0.04 0.00 0.00 177.00 180.08 2shp n PHE 285 N 1.01 2.61 -0.35 0.56 3.72 -1.26 -4.56 117.46 119.19 2shp n PHE 285 Ca -0.00 0.39 0.03 0.00 -0.05 0.00 0.00 57.45 57.81 2shp n PHE 285 Cb 0.47 -2.52 0.17 0.00 -0.94 0.00 0.00 39.48 36.67 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 3.90 0.98 0.99 4.37 3.32 -1.42 0.92 116.42 129.48 2shp h ASP 286 Ca -0.47 0.02 0.00 0.00 0.02 0.00 0.00 57.03 56.60 2shp h ASP 286 Cb 1.25 -0.19 0.00 0.00 0.22 0.00 0.00 39.33 40.61 2shp h ASP 286 CO 0.73 0.61 0.00 0.00 -1.72 0.00 0.00 179.24 178.86 2shp n HIS 287 N -4.55 0.54 -0.30 4.55 1.44 -1.26 -3.28 115.22 112.36 2shp n HIS 287 Ca 0.15 0.18 0.00 0.00 -2.01 0.00 0.00 57.72 56.04 2shp n HIS 287 Cb 0.20 -0.79 0.00 0.00 0.12 0.00 0.00 29.99 29.52 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 -1.96 0.00 -1.54 0.61 -2.24 -1.08 -5.09 114.28 102.98 2shp n THR 288 Ca 0.05 -0.32 -0.41 0.00 -2.27 0.00 0.00 64.05 61.10 2shp n THR 288 Cb 0.31 1.30 0.01 0.00 -2.10 0.00 0.00 70.33 69.86 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 -0.10 0.95 -2.50 -0.78 1.85 0.30 -1.40 116.66 114.98 2shp n ARG 289 Ca 0.00 0.35 -0.43 0.00 -1.00 0.00 0.00 57.85 56.77 2shp n ARG 289 Cb 0.08 -1.82 -0.02 0.00 -1.05 0.00 0.00 32.46 29.65 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 -1.39 4.35 -0.28 8.89 1.01 0.36 -4.72 120.40 128.63 2shp s VAL 290 Ca 0.65 1.60 -0.12 0.00 0.00 0.00 0.00 61.98 64.11 2shp s VAL 290 Cb -0.56 -4.15 -0.05 0.00 0.00 0.00 0.00 36.38 31.62 2shp s VAL 290 CO 0.56 -0.27 0.24 -0.69 0.00 0.00 0.00 175.10 174.95 2shp s VAL 291 N 3.67 5.27 -0.27 2.92 1.01 -1.26 -4.11 120.40 127.63 2shp s VAL 291 Ca 0.52 0.28 -0.19 0.00 0.00 0.00 0.00 61.98 62.59 2shp s VAL 291 Cb -0.18 -3.58 -0.02 0.00 0.00 0.00 0.00 36.38 32.60 2shp s VAL 291 CO 0.15 0.22 0.55 -0.76 0.00 0.00 0.00 175.10 175.26 2shp s LEU 292 N 1.85 4.09 -0.00 3.92 1.43 -0.44 -4.93 118.68 124.60 2shp s LEU 292 Ca 0.09 0.49 0.19 0.00 -1.03 0.00 0.00 54.13 53.88 2shp s LEU 292 Cb -0.16 -2.71 0.56 0.00 0.03 0.00 0.00 46.19 43.91 2shp s LEU 292 CO 0.11 -0.35 1.47 1.41 0.23 0.00 0.00 176.35 179.22 2shp n HIS 293 N 5.64 0.86 0.12 0.29 8.25 -1.26 -4.13 115.22 125.00 2shp n HIS 293 Ca -0.03 -0.43 -0.24 0.00 -0.26 0.00 0.00 57.72 56.76 2shp n HIS 293 Cb 0.49 -0.01 -0.16 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 3.71 0.75 -0.27 0.41 3.45 -1.96 -3.52 116.42 118.99 2shp h ASP 294 Ca 0.00 -0.93 -0.09 0.00 0.43 0.00 0.00 57.03 56.45 2shp h ASP 294 Cb 0.86 -0.24 0.03 0.00 -0.56 0.00 0.00 39.33 39.42 2shp h ASP 294 CO 0.01 1.70 -0.16 -0.24 -1.57 0.00 0.00 179.24 178.98 2shp n SER 302 N -3.74 -0.49 -0.89 6.45 2.88 -1.26 -5.19 113.62 111.38 2shp n SER 302 Ca -0.19 0.10 0.07 0.00 -1.33 0.00 0.00 58.87 57.53 2shp n SER 302 Cb 1.06 -0.13 0.22 0.00 -0.75 0.00 0.00 64.21 64.61 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 0.36 3.41 -4.43 -3.46 5.75 -1.26 -4.77 116.55 112.15 2shp n ASP 303 Ca 0.01 -2.17 -0.32 0.00 -0.01 0.00 0.00 54.79 52.30 2shp n ASP 303 Cb 0.06 -0.35 -0.14 0.00 -1.03 0.00 0.00 41.12 39.67 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 -1.32 2.59 -0.16 2.11 5.04 -1.26 -1.33 117.35 123.02 2shp s TYR 304 Ca 0.33 -0.24 -0.17 0.00 -2.44 0.00 0.00 57.07 54.54 2shp s TYR 304 Cb 0.19 -1.57 0.05 0.00 0.35 0.00 0.00 41.96 40.98 2shp s TYR 304 CO 0.19 0.15 0.47 -1.50 -1.34 0.00 0.00 175.55 173.52 2shp s ILE 305 N -0.74 0.01 -1.20 3.14 2.07 -1.26 -4.95 121.20 118.27 2shp s ILE 305 Ca 0.12 -0.04 -0.22 0.00 -1.41 0.00 0.00 60.65 59.10 2shp s ILE 305 Cb -0.10 -0.68 -0.04 0.00 0.13 0.00 0.00 42.46 41.76 2shp s ILE 305 CO 0.01 -0.02 1.88 0.21 -1.91 0.00 0.00 174.94 175.10 2shp s ASN 306 N 0.04 5.52 -0.11 4.50 3.84 -1.26 -4.59 114.94 122.88 2shp s ASN 306 Ca -0.02 -1.81 -0.27 0.00 0.21 0.00 0.00 52.86 50.97 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 0.01 -2.56 0.64 0.00 -2.79 0.00 0.00 177.10 172.40 2shp s ALA 307 N 9.16 -1.63 -0.01 1.71 0.00 -1.26 -3.28 121.76 126.46 2shp s ALA 307 Ca 0.64 1.40 0.05 0.00 0.00 0.00 0.00 51.96 54.05 2shp s ALA 307 Cb 0.00 -0.36 -0.01 0.00 0.00 0.00 0.00 23.12 22.75 2shp s ALA 307 CO 0.11 -0.34 -0.15 -0.80 0.00 0.00 0.00 175.76 174.58 2shp s ASN 308 N -0.69 1.79 0.03 0.00 -0.87 -0.65 -0.49 114.94 114.06 2shp s ASN 308 Ca -0.08 -0.30 -0.30 0.00 -1.57 0.00 0.00 52.86 50.61 2shp s ASN 308 Cb -0.02 -0.19 -0.07 0.00 -0.02 0.00 0.00 41.25 40.95 2shp s ASN 308 CO 0.06 0.17 1.49 -0.63 -2.57 0.00 0.00 177.10 175.63 2shp s ILE 309 N -0.41 3.45 -0.45 0.60 -1.09 -0.49 -1.29 121.20 121.52 2shp s ILE 309 Ca 0.06 0.87 -0.11 0.00 -2.23 0.00 0.00 60.65 59.24 2shp s ILE 309 Cb -0.06 -3.56 0.09 0.00 -1.58 0.00 0.00 42.46 37.35 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 2.45 4.49 -0.36 2.92 -1.09 0.22 -4.91 121.20 124.93 2shp s ILE 310 Ca 0.67 -1.43 -0.17 0.00 -2.23 0.00 0.00 60.65 57.50 2shp s ILE 310 Cb -0.35 -3.79 -0.00 0.00 -1.58 0.00 0.00 42.46 36.74 2shp s ILE 310 CO 0.29 -0.61 0.43 -0.04 -1.23 0.00 0.00 174.94 173.78 2shp s MET 311 N 1.47 3.49 0.00 2.79 -1.94 -1.26 -1.47 119.30 122.38 2shp s MET 311 Ca 0.04 -0.40 0.00 0.00 -1.71 0.00 0.00 55.69 53.62 2shp s MET 311 Cb -0.24 -3.84 0.00 0.00 2.01 0.00 0.00 34.83 32.76 2shp s MET 311 CO 0.02 -0.63 0.81 -2.30 -0.01 0.00 0.00 175.02 172.91 2shp n PRO 312 N 5.56 0.00 0.00 2.03 -0.02 -1.26 -5.00 135.00 136.31 2shp n PRO 312 Ca -0.07 0.40 -0.11 0.00 -2.02 0.00 0.00 63.50 61.70 2shp n PRO 312 Cb 0.49 -1.35 -0.06 0.00 -0.02 0.00 0.00 33.50 32.55 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 0.10 -6.35 -0.52 3.64 -2.04 -3.51 116.57 107.90 2shp h LYS 324 Ca 0.00 -0.01 -0.54 0.00 -1.27 0.00 0.00 60.65 58.82 2shp h LYS 324 Cb 0.00 -0.02 -0.00 0.00 -0.41 0.00 0.00 32.23 31.80 2shp h LYS 324 CO 0.00 0.15 0.93 0.21 -2.27 0.00 0.00 179.45 178.47 2shp s LYS 325 N -5.86 4.24 0.43 1.90 2.20 -1.26 -5.03 119.74 116.35 2shp s LYS 325 Ca -0.13 2.08 0.07 0.00 -0.36 0.00 0.00 55.97 57.62 2shp s LYS 325 Cb 0.06 -3.68 -0.05 0.00 -1.51 0.00 0.00 37.83 32.65 2shp s LYS 325 CO 0.68 -0.68 0.14 -1.54 -0.36 0.00 0.00 175.35 173.58 2shp s SER 326 N 2.32 4.28 0.11 1.43 1.04 -1.26 -4.96 113.70 116.65 2shp s SER 326 Ca 0.68 -1.21 0.06 0.00 0.48 0.00 0.00 55.95 55.96 2shp s SER 326 Cb -0.33 -0.32 -0.03 0.00 0.10 0.00 0.00 66.02 65.44 2shp s SER 326 CO 0.28 -0.58 -0.16 -0.31 0.98 0.00 0.00 173.24 173.45 2shp s TYR 327 N -2.66 1.44 -0.27 5.02 1.51 -0.54 -1.14 117.35 120.70 2shp s TYR 327 Ca 0.36 -0.50 -0.06 0.00 -1.01 0.00 0.00 57.07 55.87 2shp s TYR 327 Cb 0.05 -0.77 0.01 0.00 -0.11 0.00 0.00 41.96 41.13 2shp s TYR 327 CO 0.20 0.14 0.04 0.42 -1.11 0.00 0.00 175.55 175.24 2shp s ILE 328 N -1.72 3.75 -0.23 2.71 1.01 -0.57 0.71 121.20 126.85 2shp s ILE 328 Ca 0.06 -0.68 -0.16 0.00 0.00 0.00 0.00 60.65 59.87 2shp s ILE 328 Cb -0.07 -2.89 -0.03 0.00 0.01 0.00 0.00 42.46 39.47 2shp s ILE 328 CO 0.03 0.16 0.44 0.00 0.00 0.00 0.00 174.94 175.57 2shp s ALA 329 N 1.48 3.57 0.20 9.38 0.00 -0.41 -0.57 121.76 135.40 2shp s ALA 329 Ca 0.03 -0.60 -0.03 0.00 0.00 0.00 0.00 51.96 51.36 2shp s ALA 329 Cb -0.17 -2.74 -0.03 0.00 0.00 0.00 0.00 23.12 20.18 2shp s ALA 329 CO 0.01 -0.51 0.18 -0.08 0.00 0.00 0.00 175.76 175.36 2shp s THR 330 N 1.77 0.01 0.74 0.00 -1.32 -0.32 -1.64 115.64 114.88 2shp s THR 330 Ca 0.19 -1.89 -0.10 0.00 -1.21 0.00 0.00 61.69 58.69 2shp s THR 330 Cb -0.15 -2.39 0.05 0.00 -1.51 0.00 0.00 72.50 68.49 2shp s THR 330 CO 0.09 -0.05 1.10 0.00 -2.21 0.00 0.00 174.62 173.54 2shp s GLN 331 N -4.12 2.35 0.44 7.08 -2.07 -1.21 -3.66 119.66 118.47 2shp s GLN 331 Ca 0.35 0.12 -0.24 0.00 -1.82 0.00 0.00 55.36 53.76 2shp s GLN 331 Cb 0.06 -2.05 -0.08 0.00 -1.09 0.00 0.00 33.01 29.85 2shp s GLN 331 CO 0.10 -1.28 1.27 0.20 -1.32 0.00 0.00 175.29 174.26 2shp s GLY 332 N -4.48 2.88 0.31 2.60 0.00 0.16 -4.75 107.32 104.04 2shp s GLY 332 Ca 0.60 1.16 -0.29 0.00 0.00 0.00 0.00 44.72 46.19 2shp s GLY 332 CO 0.48 1.70 1.20 0.00 0.00 0.00 0.00 173.10 176.48 2shp s LEU 334 N -0.34 3.78 0.59 0.00 1.43 -1.26 -1.54 118.68 121.33 2shp s LEU 334 Ca 0.58 0.31 0.30 0.00 -1.03 0.00 0.00 54.13 54.29 2shp s LEU 334 Cb -0.63 -3.19 1.83 0.00 0.03 0.00 0.00 46.19 44.23 2shp s LEU 334 CO 0.60 -0.56 2.26 0.06 0.23 0.00 0.00 176.35 178.93 2shp h GLN 335 N 0.53 0.00 -0.41 1.70 3.07 -1.96 -0.24 115.11 117.80 2shp h GLN 335 Ca -0.47 0.00 0.00 0.00 0.09 0.00 0.00 58.65 58.27 2shp h GLN 335 Cb 1.24 0.00 0.00 0.00 0.08 0.00 0.00 27.48 28.80 2shp h GLN 335 CO 0.58 0.00 0.00 0.27 0.09 0.00 0.00 178.83 179.77 2shp n ASN 336 N -3.84 3.03 -0.02 0.06 0.23 -1.26 -3.78 115.26 109.67 2shp n ASN 336 Ca -0.03 -1.94 0.00 0.00 -0.53 0.00 0.00 54.58 52.08 2shp n ASN 336 Cb 0.08 -0.27 0.00 0.00 -2.08 0.00 0.00 39.78 37.51 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 1.19 0.00 -0.25 5.53 -2.24 -0.13 -4.74 114.28 113.64 2shp n THR 337 Ca 0.19 -0.50 0.00 0.00 -2.27 0.00 0.00 64.05 61.47 2shp n THR 337 Cb 0.52 1.01 0.13 0.00 -2.10 0.00 0.00 70.33 69.89 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 0.12 0.93 -0.46 2.28 2.07 -1.58 0.12 116.25 119.72 2shp h VAL 338 Ca 0.00 -0.24 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 2shp h VAL 338 Cb 0.03 0.16 -0.02 0.00 -1.52 0.00 0.00 31.29 29.93 2shp h VAL 338 CO 0.00 0.13 -0.05 0.78 0.02 0.00 0.00 177.57 178.45 2shp h ASN 339 N 0.71 0.77 0.28 0.57 -0.26 -1.85 -2.73 115.58 113.07 2shp h ASN 339 Ca 0.34 -0.21 -0.18 0.00 -0.56 0.00 0.00 56.30 55.69 2shp h ASN 339 Cb 0.28 -0.21 -0.01 0.00 -1.06 0.00 0.00 38.32 37.32 2shp h ASN 339 CO -0.22 0.87 -0.71 0.44 -1.06 0.00 0.00 177.43 176.74 2shp h ASP 340 N 0.73 0.45 -0.37 5.81 3.32 -1.36 -2.41 116.42 122.59 2shp h ASP 340 Ca 0.13 -0.29 0.06 0.00 0.02 0.00 0.00 57.03 56.95 2shp h ASP 340 Cb 0.52 -0.13 -0.05 0.00 0.22 0.00 0.00 39.33 39.89 2shp h ASP 340 CO 0.03 1.02 0.06 0.15 -1.72 0.00 0.00 179.24 178.78 2shp h PHE 341 N 0.26 0.10 -0.10 4.55 3.57 -0.58 0.09 116.94 124.84 2shp h PHE 341 Ca -0.03 0.02 -0.12 0.00 3.53 0.00 0.00 57.97 61.38 2shp h PHE 341 Cb 1.28 0.01 -0.01 0.00 2.79 0.00 0.00 35.95 40.02 2shp h PHE 341 CO 0.04 0.00 -0.47 -1.49 -2.23 0.00 0.00 178.31 174.16 2shp h TRP 342 N 0.18 0.29 -0.49 0.41 4.06 -1.46 -0.73 115.95 118.20 2shp h TRP 342 Ca 0.18 -0.09 0.07 0.00 2.06 0.00 0.00 58.89 61.11 2shp h TRP 342 Cb 0.22 -0.06 -0.06 0.00 -1.00 0.00 0.00 29.16 28.26 2shp h TRP 342 CO -0.20 0.67 0.16 0.00 -3.56 0.00 0.00 178.44 175.51 2shp h ARG 343 N 0.19 0.32 0.24 0.49 3.08 -0.89 -0.66 114.38 117.15 2shp h ARG 343 Ca 0.01 -0.02 -0.01 0.00 0.07 0.00 0.00 59.98 60.03 2shp h ARG 343 Cb 0.91 -0.07 0.00 0.00 0.08 0.00 0.00 29.97 30.89 2shp h ARG 343 CO 0.07 0.21 -0.11 1.98 -1.07 0.00 0.00 179.97 181.05 2shp h MET 344 N 0.33 -0.31 -0.72 0.04 4.05 -0.48 0.27 114.93 118.12 2shp h MET 344 Ca 0.24 0.02 0.11 0.00 -0.28 0.00 0.00 59.70 59.79 2shp h MET 344 Cb 0.26 0.07 -0.08 0.00 -0.80 0.00 0.00 31.60 31.06 2shp h MET 344 CO -0.25 -0.11 0.33 0.28 0.23 0.00 0.00 176.91 177.38 2shp h VAL 345 N -0.44 0.79 0.30 -5.77 2.07 -1.03 0.08 116.25 112.26 2shp h VAL 345 Ca -0.03 -0.19 -0.01 0.00 0.82 0.00 0.00 66.70 67.29 2shp h VAL 345 Cb 0.33 0.20 0.00 0.00 -1.52 0.00 0.00 31.29 30.30 2shp h VAL 345 CO 0.05 0.10 -0.15 0.15 0.02 0.00 0.00 177.57 177.75 2shp h PHE 346 N 0.54 -0.38 -0.41 1.57 3.57 -1.06 -2.06 116.94 118.71 2shp h PHE 346 Ca 0.37 -0.01 0.06 0.00 3.53 0.00 0.00 57.97 61.91 2shp h PHE 346 Cb 0.45 0.13 -0.05 0.00 2.79 0.00 0.00 35.95 39.26 2shp h PHE 346 CO -0.13 -0.06 0.12 0.37 -2.23 0.00 0.00 178.31 176.39 2shp h GLN 347 N -0.73 0.26 -0.00 1.11 4.15 -0.61 -2.63 115.11 116.66 2shp h GLN 347 Ca -0.04 -0.02 0.00 0.00 0.77 0.00 0.00 58.65 59.36 2shp h GLN 347 Cb 0.49 -0.06 0.00 0.00 0.21 0.00 0.00 27.48 28.12 2shp h GLN 347 CO 0.07 0.18 -0.04 0.39 -1.93 0.00 0.00 178.83 177.50 2shp n GLU 348 N -5.04 0.87 -2.35 1.69 -0.58 -0.01 -4.90 120.64 110.30 2shp n GLU 348 Ca 0.03 -0.20 -0.19 0.00 -0.42 0.00 0.00 57.16 56.38 2shp n GLU 348 Cb 0.17 -1.50 -0.01 0.00 -0.57 0.00 0.00 31.44 29.53 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 -0.90 -5.48 -4.75 1.62 5.15 -0.83 -4.15 115.26 105.92 2shp n ASN 349 Ca 0.18 -0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.74 2shp n ASN 349 Cb 0.22 -4.53 -0.02 0.00 -0.53 0.00 0.00 39.78 34.91 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 -2.15 6.73 0.00 1.20 0.01 -0.85 0.35 113.70 118.99 2shp s SER 350 Ca 0.00 2.63 0.00 0.00 1.31 0.00 0.00 55.95 59.89 2shp s SER 350 Cb 0.00 -2.63 0.00 0.00 0.21 0.00 0.00 66.02 63.60 2shp s SER 350 CO 0.00 -0.63 0.33 0.54 0.41 0.00 0.00 173.24 173.89 2shp n ARG 351 N 1.95 1.15 -3.81 12.44 5.12 -1.26 -4.83 116.66 127.41 2shp n ARG 351 Ca 0.05 -0.33 -0.14 0.00 -1.93 0.00 0.00 57.85 55.51 2shp n ARG 351 Cb 0.41 -0.81 -0.15 0.00 -1.16 0.00 0.00 32.46 30.75 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 -0.26 -0.03 -0.06 1.55 1.01 -1.26 -0.98 120.40 120.37 2shp s VAL 352 Ca 0.00 0.12 0.05 0.00 0.00 0.00 0.00 61.98 62.15 2shp s VAL 352 Cb 0.00 -0.06 -0.01 0.00 0.00 0.00 0.00 36.38 36.31 2shp s VAL 352 CO 0.00 0.05 -0.23 -0.63 0.00 0.00 0.00 175.10 174.28 2shp s ILE 353 N 0.60 1.94 -0.22 2.22 1.01 -0.20 -1.56 121.20 124.98 2shp s ILE 353 Ca -0.05 -1.00 -0.02 0.00 0.00 0.00 0.00 60.65 59.58 2shp s ILE 353 Cb -0.07 -1.66 0.01 0.00 0.01 0.00 0.00 42.46 40.75 2shp s ILE 353 CO -0.02 0.54 -0.08 -0.69 0.00 0.00 0.00 174.94 174.69 2shp s VAL 354 N -0.03 2.97 -0.20 2.92 1.01 0.16 0.07 120.40 127.30 2shp s VAL 354 Ca -0.06 -0.73 -0.02 0.00 0.00 0.00 0.00 61.98 61.16 2shp s VAL 354 Cb -0.14 -2.38 -0.00 0.00 0.00 0.00 0.00 36.38 33.86 2shp s VAL 354 CO 0.04 0.38 -0.09 -0.32 0.00 0.00 0.00 175.10 175.12 2shp s MET 355 N 1.40 3.30 -0.35 2.72 0.00 -0.35 -1.16 119.30 124.85 2shp s MET 355 Ca 0.04 -0.68 0.06 0.00 0.00 0.00 0.00 55.69 55.12 2shp s MET 355 Cb -0.15 -2.85 0.48 0.00 0.00 0.00 0.00 34.83 32.31 2shp s MET 355 CO -0.06 -0.13 1.47 0.25 0.00 0.00 0.00 175.02 176.55 2shp n THR 356 N 4.55 2.72 -3.59 10.11 -2.24 -0.65 -0.19 114.28 124.99 2shp n THR 356 Ca -0.19 -3.24 -0.14 0.00 -2.27 0.00 0.00 64.05 58.21 2shp n THR 356 Cb 0.51 -0.70 -0.06 0.00 -2.10 0.00 0.00 70.33 67.98 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 -3.91 0.03 0.79 4.28 -1.32 -1.22 -4.82 115.64 109.47 2shp s THR 357 Ca 0.50 -0.24 -0.11 0.00 -1.21 0.00 0.00 61.69 60.63 2shp s THR 357 Cb 0.42 -0.94 0.06 0.00 -1.51 0.00 0.00 72.50 70.54 2shp s THR 357 CO 0.01 -0.13 1.09 -0.54 -2.21 0.00 0.00 174.62 172.83 2shp s LYS 358 N -2.08 2.15 0.32 7.08 1.02 -1.26 -4.82 119.74 122.14 2shp s LYS 358 Ca -0.07 0.93 0.02 0.00 0.02 0.00 0.00 55.97 56.87 2shp s LYS 358 Cb -0.01 -1.90 0.57 0.00 -0.52 0.00 0.00 37.83 35.97 2shp s LYS 358 CO 0.01 -1.65 1.94 0.93 -0.92 0.00 0.00 175.35 175.66 2shp h GLU 359 N -1.12 0.94 -4.16 1.68 5.08 -1.96 -3.40 114.58 111.64 2shp h GLU 359 Ca -0.46 -0.06 -0.28 0.00 -1.00 0.00 0.00 59.36 57.57 2shp h GLU 359 Cb 1.25 -0.21 -0.27 0.00 0.50 0.00 0.00 28.75 30.02 2shp h GLU 359 CO 0.55 0.62 -0.74 0.14 -1.00 0.00 0.00 179.01 178.58 2shp s VAL 360 N -5.84 0.29 -0.01 3.13 -7.23 -1.26 -0.11 120.40 109.37 2shp s VAL 360 Ca -0.11 -0.36 0.00 0.00 -1.81 0.00 0.00 61.98 59.71 2shp s VAL 360 Cb 0.19 -0.29 0.01 0.00 0.56 0.00 0.00 36.38 36.86 2shp s VAL 360 CO 0.79 -0.05 -0.00 -1.61 -0.31 0.00 0.00 175.10 173.92 2shp s GLU 361 N -0.44 0.12 -1.44 4.82 2.02 -0.20 -4.84 118.70 118.75 2shp s GLU 361 Ca -0.02 0.03 -0.08 0.00 0.02 0.00 0.00 54.97 54.91 2shp s GLU 361 Cb -0.03 -0.22 0.05 0.00 0.10 0.00 0.00 34.13 34.02 2shp s GLU 361 CO -0.00 -0.05 0.68 0.54 0.02 0.00 0.00 175.26 176.45 2shp n ARG 362 N 3.52 -4.71 0.00 1.61 1.74 -1.26 -1.51 116.66 116.06 2shp n ARG 362 Ca -0.19 0.69 0.00 0.00 -0.77 0.00 0.00 57.85 57.58 2shp n ARG 362 Cb 0.55 -5.52 0.00 0.00 -1.02 0.00 0.00 32.46 26.48 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 -1.47 2.80 3.89 -0.13 0.00 -1.26 -4.99 105.19 104.02 2shp n GLY 363 Ca -0.04 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.65 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 -0.13 3.60 -0.17 1.61 1.02 -0.57 -5.07 119.74 120.03 2shp s LYS 364 Ca 0.00 -0.08 -0.29 0.00 0.02 0.00 0.00 55.97 55.62 2shp s LYS 364 Cb 0.00 -3.00 -0.00 0.00 -0.52 0.00 0.00 37.83 34.31 2shp s LYS 364 CO 0.00 0.58 1.00 0.45 -0.92 0.00 0.00 175.35 176.46 2shp s SER 365 N -1.99 7.14 -0.10 2.83 0.15 -1.26 -1.04 113.70 119.43 2shp s SER 365 Ca 0.33 1.42 0.20 0.00 0.70 0.00 0.00 55.95 58.59 2shp s SER 365 Cb -0.13 -2.54 -0.29 0.00 -1.71 0.00 0.00 66.02 61.35 2shp s SER 365 CO 0.20 -0.54 0.30 0.29 1.20 0.00 0.00 173.24 174.69 2shp n LYS 366 N 5.63 0.70 -3.64 5.44 4.76 0.84 -4.96 118.16 126.93 2shp n LYS 366 Ca 0.10 -0.12 -0.05 0.00 -2.87 0.00 0.00 58.31 55.37 2shp n LYS 366 Cb 0.47 -1.50 -0.07 0.00 -1.84 0.00 0.00 35.03 32.10 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 1.22 4.26 -0.33 0.00 -7.23 -0.59 -4.50 120.40 113.23 2shp s VAL 368 Ca -0.07 1.75 -0.30 0.00 -1.81 0.00 0.00 61.98 61.54 2shp s VAL 368 Cb -0.04 -3.98 -0.08 0.00 0.56 0.00 0.00 36.38 32.84 2shp s VAL 368 CO -0.14 0.14 2.26 1.17 -0.31 0.00 0.00 175.10 178.22 2shp n LYS 369 N 0.56 1.47 -0.30 4.82 4.81 -1.26 -4.65 118.16 123.62 2shp n LYS 369 Ca 0.01 0.35 0.10 0.00 -0.87 0.00 0.00 58.31 57.91 2shp n LYS 369 Cb 0.50 -2.97 0.27 0.00 0.02 0.00 0.00 35.03 32.85 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 11.75 0.78 -4.31 5.64 4.11 -1.26 -4.97 117.16 128.90 2shp n TYR 370 Ca 0.36 -0.46 -0.24 0.00 -0.00 0.00 0.00 57.90 57.56 2shp n TYR 370 Cb 0.38 -0.01 -0.13 0.00 -0.00 0.00 0.00 39.34 39.59 2shp n TYR 370 CO 0.00 0.00 0.00 1.67 -0.00 0.00 0.00 176.86 178.53 2shp s TRP 371 N -1.06 1.81 0.79 -3.48 -2.14 -1.26 -5.07 118.94 108.54 2shp s TRP 371 Ca 0.41 -0.41 -0.11 0.00 2.66 0.00 0.00 56.10 58.64 2shp s TRP 371 Cb 0.22 -1.00 0.07 0.00 -3.10 0.00 0.00 33.47 29.66 2shp s TRP 371 CO 0.29 0.20 1.12 -2.14 -2.66 0.00 0.00 176.95 173.76 2shp s PRO 372 N -1.87 2.02 0.78 3.25 0.02 -1.26 -5.02 135.00 132.92 2shp s PRO 372 Ca 0.07 1.34 -0.13 0.00 0.02 0.00 0.00 61.00 62.30 2shp s PRO 372 Cb -0.10 -1.86 0.07 0.00 0.02 0.00 0.00 34.50 32.63 2shp s PRO 372 CO 0.04 -1.85 1.16 -0.51 -0.33 0.00 0.00 177.00 175.51 2shp s ASP 373 N -2.99 4.00 -0.01 2.53 1.01 -1.26 -4.70 116.67 115.25 2shp s ASP 373 Ca 0.64 2.19 -0.37 0.00 0.71 0.00 0.00 52.55 55.72 2shp s ASP 373 Cb -0.20 -2.57 -0.16 0.00 1.01 0.00 0.00 42.92 41.00 2shp s ASP 373 CO 0.54 -2.38 1.50 1.21 0.21 0.00 0.00 175.17 176.24 2shp n GLU 374 N -3.22 1.30 -0.07 8.23 2.13 -1.26 -1.23 120.64 126.52 2shp n GLU 374 Ca 0.12 0.47 0.00 0.00 0.66 0.00 0.00 57.16 58.41 2shp n GLU 374 Cb 0.51 -2.15 0.00 0.00 0.27 0.00 0.00 31.44 30.08 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 3.58 0.00 -2.26 4.31 4.01 0.16 -5.00 117.16 121.96 2shp n TYR 375 Ca 0.21 0.00 -0.30 0.00 -0.16 0.00 0.00 57.90 57.65 2shp n TYR 375 Cb 0.19 0.00 -0.00 0.00 -0.31 0.00 0.00 39.34 39.22 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 -2.92 3.22 -0.06 -0.72 0.00 -0.36 -4.81 121.76 116.11 2shp s ALA 376 Ca 0.00 -0.22 0.05 0.00 0.00 0.00 0.00 51.96 51.79 2shp s ALA 376 Cb 0.00 -2.88 -0.01 0.00 0.00 0.00 0.00 23.12 20.23 2shp s ALA 376 CO 0.00 -0.48 -0.22 -1.17 0.00 0.00 0.00 175.76 173.89 2shp s LEU 377 N -4.83 2.01 0.03 0.00 2.96 -1.26 -1.75 118.68 115.84 2shp s LEU 377 Ca 0.52 -0.46 0.02 0.00 -0.22 0.00 0.00 54.13 54.00 2shp s LEU 377 Cb -0.11 -1.22 -0.02 0.00 0.50 0.00 0.00 46.19 45.34 2shp s LEU 377 CO 0.47 0.20 -0.07 -0.54 -1.32 0.00 0.00 176.35 175.09 2shp s LYS 378 N -0.03 0.49 -0.26 1.98 1.02 -0.44 -5.00 119.74 117.50 2shp s LYS 378 Ca -0.05 -0.66 -0.10 0.00 0.02 0.00 0.00 55.97 55.17 2shp s LYS 378 Cb -0.13 -0.28 -0.05 0.00 -0.52 0.00 0.00 37.83 36.85 2shp s LYS 378 CO 0.04 0.05 0.16 -1.21 -0.92 0.00 0.00 175.35 173.46 2shp s GLU 379 N -1.36 3.97 -0.71 1.68 2.02 -1.26 -0.94 118.70 122.10 2shp s GLU 379 Ca -0.09 -0.32 -0.04 0.00 0.02 0.00 0.00 54.97 54.54 2shp s GLU 379 Cb -0.09 -3.55 0.18 0.00 0.10 0.00 0.00 34.13 30.77 2shp s GLU 379 CO 0.00 -0.06 0.56 0.71 0.02 0.00 0.00 175.26 176.48 2shp s TYR 380 N 1.40 3.54 0.00 1.61 2.02 0.23 -4.98 117.35 121.17 2shp s TYR 380 Ca 0.07 -2.69 0.00 0.00 -0.37 0.00 0.00 57.07 54.08 2shp s TYR 380 Cb -0.15 -3.29 0.00 0.00 -0.40 0.00 0.00 41.96 38.12 2shp s TYR 380 CO 0.07 -0.84 0.00 0.41 -1.57 0.00 0.00 175.55 173.62 2shp n GLY 381 N 3.30 1.99 0.01 0.71 0.00 -1.26 -1.66 105.19 108.28 2shp n GLY 381 Ca 0.12 -0.43 0.16 0.00 0.00 0.00 0.00 46.02 45.87 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 -4.11 1.61 0.24 -1.26 -4.81 118.33 110.00 2shp n VAL 382 Ca 0.00 -0.01 -0.35 0.00 -2.04 0.00 0.00 64.34 61.94 2shp n VAL 382 Cb 0.00 -0.47 -0.07 0.00 -1.47 0.00 0.00 33.84 31.83 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 3.20 -0.10 7.34 1.00 -0.66 -0.30 119.30 127.60 2shp s MET 383 Ca 0.42 -0.30 0.02 0.00 0.00 0.00 0.00 55.69 55.83 2shp s MET 383 Cb 0.21 -2.98 0.01 0.00 0.00 0.00 0.00 34.83 32.08 2shp s MET 383 CO 0.40 0.73 -0.16 0.50 0.00 0.00 0.00 175.02 176.48 2shp s ARG 384 N -1.11 2.29 -0.03 2.03 3.52 0.07 0.77 118.95 126.49 2shp s ARG 384 Ca 0.16 -0.60 0.02 0.00 -0.13 0.00 0.00 55.73 55.19 2shp s ARG 384 Cb -0.12 -1.88 0.00 0.00 -1.56 0.00 0.00 34.95 31.39 2shp s ARG 384 CO 0.05 0.00 -0.09 0.54 -0.81 0.00 0.00 175.30 174.99 2shp s VAL 385 N 0.80 0.82 -0.11 7.11 0.11 -0.11 -1.36 120.40 127.66 2shp s VAL 385 Ca -0.10 -0.37 -0.01 0.00 -2.93 0.00 0.00 61.98 58.57 2shp s VAL 385 Cb -0.16 -0.73 -0.03 0.00 -1.53 0.00 0.00 36.38 33.93 2shp s VAL 385 CO 0.01 0.26 -0.07 0.00 -3.33 0.00 0.00 175.10 171.97 2shp s ARG 386 N 0.25 3.16 -0.84 1.54 1.70 -0.60 -1.33 118.95 122.83 2shp s ARG 386 Ca -0.04 -0.57 -0.24 0.00 -0.47 0.00 0.00 55.73 54.41 2shp s ARG 386 Cb -0.09 -2.70 0.06 0.00 -0.57 0.00 0.00 34.95 31.65 2shp s ARG 386 CO 0.01 0.44 1.25 1.21 -1.08 0.00 0.00 175.30 177.14 2shp s ASN 387 N -0.22 6.34 0.14 -2.89 3.84 -0.72 -0.96 114.94 120.47 2shp s ASN 387 Ca 0.03 -1.09 -0.13 0.00 0.21 0.00 0.00 52.86 51.87 2shp s ASN 387 Cb -0.13 -2.51 0.01 0.00 -0.55 0.00 0.00 41.25 38.07 2shp s ASN 387 CO 0.03 -1.55 1.61 0.58 -2.79 0.00 0.00 177.10 174.98 2shp h VAL 388 N 6.24 1.25 -1.71 -5.21 2.07 -0.61 0.45 116.25 118.74 2shp h VAL 388 Ca -0.07 -0.96 0.03 0.00 0.82 0.00 0.00 66.70 66.52 2shp h VAL 388 Cb 1.04 0.97 -0.24 0.00 -1.52 0.00 0.00 31.29 31.54 2shp h VAL 388 CO 1.29 0.34 0.37 -0.75 0.02 0.00 0.00 177.57 178.83 2shp s LYS 389 N -5.13 0.61 -0.07 1.57 2.47 -1.21 -4.47 119.74 113.52 2shp s LYS 389 Ca -0.13 0.66 0.01 0.00 -1.56 0.00 0.00 55.97 54.96 2shp s LYS 389 Cb 0.11 0.30 -0.03 0.00 -1.46 0.00 0.00 37.83 36.75 2shp s LYS 389 CO 0.80 -0.09 -0.09 -1.21 0.16 0.00 0.00 175.35 174.92 2shp s GLU 390 N 0.14 2.73 -0.21 4.03 2.02 -1.26 -0.79 118.70 125.35 2shp s GLU 390 Ca 0.02 -0.60 0.01 0.00 0.02 0.00 0.00 54.97 54.42 2shp s GLU 390 Cb -0.05 -2.54 0.04 0.00 0.10 0.00 0.00 34.13 31.69 2shp s GLU 390 CO -0.03 0.62 -0.12 -1.12 0.02 0.00 0.00 175.26 174.63 2shp s SER 391 N -0.70 3.64 -0.13 -0.19 0.01 0.78 -4.97 113.70 112.13 2shp s SER 391 Ca 0.11 -0.99 -0.22 0.00 1.31 0.00 0.00 55.95 56.15 2shp s SER 391 Cb -0.11 -1.35 -0.03 0.00 0.21 0.00 0.00 66.02 64.73 2shp s SER 391 CO 0.01 -0.13 0.68 0.00 0.41 0.00 0.00 173.24 174.21 2shp s ALA 392 N 1.30 3.45 0.36 1.44 0.00 -1.26 -0.89 121.76 126.15 2shp s ALA 392 Ca -0.02 -0.04 0.03 0.00 0.00 0.00 0.00 51.96 51.92 2shp s ALA 392 Cb -0.17 -2.98 0.03 0.00 0.00 0.00 0.00 23.12 19.99 2shp s ALA 392 CO -0.08 -0.34 0.22 0.00 0.00 0.00 0.00 175.76 175.56 2shp n ALA 393 N 4.45 0.51 -0.06 0.00 0.00 0.12 -5.00 120.51 120.52 2shp n ALA 393 Ca -0.01 -1.47 -0.14 0.00 0.00 0.00 0.00 53.44 51.82 2shp n ALA 393 Cb 0.50 0.65 -0.06 0.00 0.00 0.00 0.00 19.45 20.54 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 0.71 0.72 0.00 0.00 2.76 -2.03 -3.33 115.15 113.99 2shp h HIS 394 Ca -0.24 -0.25 0.00 0.00 -2.20 0.00 0.00 60.37 57.68 2shp h HIS 394 Cb 0.84 -0.14 0.00 0.00 1.55 0.00 0.00 27.41 29.66 2shp h HIS 394 CO 0.00 0.98 -1.10 -0.25 -1.30 0.00 0.00 177.93 176.26 2shp n ASP 395 N -4.31 0.59 -3.86 3.26 8.00 -1.26 -4.88 116.55 114.09 2shp n ASP 395 Ca -0.06 -0.16 -0.09 0.00 0.71 0.00 0.00 54.79 55.19 2shp n ASP 395 Cb 0.49 0.87 -0.05 0.00 -0.02 0.00 0.00 41.12 42.41 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 -3.23 0.15 -0.07 1.24 1.13 -1.25 -0.65 117.35 114.67 2shp s TYR 396 Ca 0.02 -0.51 0.05 0.00 -1.41 0.00 0.00 57.07 55.23 2shp s TYR 396 Cb 0.14 0.19 -0.01 0.00 -1.10 0.00 0.00 41.96 41.18 2shp s TYR 396 CO 0.81 -0.85 -0.23 0.99 -2.51 0.00 0.00 175.55 173.76 2shp s THR 397 N -3.93 1.90 -0.20 -3.49 2.01 -0.24 -0.70 115.64 110.99 2shp s THR 397 Ca 0.14 -0.96 -0.10 0.00 0.31 0.00 0.00 61.69 61.07 2shp s THR 397 Cb 0.01 -1.63 -0.05 0.00 0.01 0.00 0.00 72.50 70.84 2shp s THR 397 CO -0.00 0.53 0.14 -0.22 -0.69 0.00 0.00 174.62 174.38 2shp s LEU 398 N 0.06 4.21 -0.18 4.42 2.96 -0.07 -0.23 118.68 129.85 2shp s LEU 398 Ca -0.09 0.25 0.00 0.00 -0.22 0.00 0.00 54.13 54.08 2shp s LEU 398 Cb -0.15 -2.11 0.01 0.00 0.50 0.00 0.00 46.19 44.44 2shp s LEU 398 CO 0.05 0.17 -0.17 -0.13 -1.32 0.00 0.00 176.35 174.95 2shp s ARG 399 N 0.36 3.07 -0.53 1.98 0.52 -0.20 -0.15 118.95 123.99 2shp s ARG 399 Ca 0.09 -0.79 -0.25 0.00 -0.52 0.00 0.00 55.73 54.25 2shp s ARG 399 Cb -0.11 -2.63 0.04 0.00 0.52 0.00 0.00 34.95 32.76 2shp s ARG 399 CO -0.01 -0.18 0.96 -2.00 0.02 0.00 0.00 175.30 174.08 2shp s GLU 400 N 1.26 3.40 -0.09 3.54 2.12 0.03 -1.03 118.70 127.93 2shp s GLU 400 Ca 0.04 -0.11 -0.01 0.00 0.36 0.00 0.00 54.97 55.25 2shp s GLU 400 Cb -0.13 -4.02 -0.03 0.00 0.26 0.00 0.00 34.13 30.21 2shp s GLU 400 CO -0.10 -1.44 -0.03 -0.51 -0.54 0.00 0.00 175.26 172.64 2shp s LEU 401 N 4.00 3.36 -0.25 2.70 1.43 -0.02 0.15 118.68 130.04 2shp s LEU 401 Ca 0.33 0.03 -0.06 0.00 -1.03 0.00 0.00 54.13 53.40 2shp s LEU 401 Cb -0.11 -1.76 -0.02 0.00 0.03 0.00 0.00 46.19 44.33 2shp s LEU 401 CO 0.22 0.33 0.05 -0.54 0.23 0.00 0.00 176.35 176.64 2shp s LYS 402 N -0.63 3.49 -0.16 1.70 1.02 -0.14 -0.03 119.74 124.99 2shp s LYS 402 Ca 0.10 -0.58 -0.02 0.00 0.02 0.00 0.00 55.97 55.49 2shp s LYS 402 Cb -0.12 -3.26 -0.02 0.00 -0.52 0.00 0.00 37.83 33.92 2shp s LYS 402 CO 0.02 -0.23 -0.07 -1.17 -0.92 0.00 0.00 175.35 172.97 2shp s LEU 403 N 1.56 2.97 0.05 3.17 2.96 0.28 -1.56 118.68 128.11 2shp s LEU 403 Ca 0.06 -0.27 -0.02 0.00 -0.22 0.00 0.00 54.13 53.68 2shp s LEU 403 Cb -0.15 -1.71 -0.03 0.00 0.50 0.00 0.00 46.19 44.79 2shp s LEU 403 CO 0.02 0.12 -0.00 -0.94 -1.32 0.00 0.00 176.35 174.22 2shp s SER 404 N 0.66 0.42 -0.19 3.68 1.04 -0.46 -0.88 113.70 117.96 2shp s SER 404 Ca -0.04 -0.90 -0.27 0.00 0.48 0.00 0.00 55.95 55.22 2shp s SER 404 Cb -0.15 0.21 -0.01 0.00 0.10 0.00 0.00 66.02 66.17 2shp s SER 404 CO 0.02 -0.59 0.90 -0.75 0.98 0.00 0.00 173.24 173.81 2shp s LYS 405 N -3.67 4.28 0.11 4.02 2.20 -1.26 -0.75 119.74 124.67 2shp s LYS 405 Ca 0.05 1.13 -0.36 0.00 -0.36 0.00 0.00 55.97 56.43 2shp s LYS 405 Cb 0.06 -3.60 -0.17 0.00 -1.51 0.00 0.00 37.83 32.61 2shp s LYS 405 CO -0.09 -0.44 1.27 0.28 -0.36 0.00 0.00 175.35 176.01 2shp n VAL 406 N 4.96 0.27 0.00 4.02 0.31 0.59 -1.25 118.33 127.24 2shp n VAL 406 Ca 0.07 -0.07 0.00 0.00 -0.01 0.00 0.00 64.34 64.33 2shp n VAL 406 Cb 0.48 -0.78 0.00 0.00 -0.91 0.00 0.00 33.84 32.63 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 2.33 2.07 2.77 2.92 0.00 -1.26 -4.96 105.19 109.06 2shp n GLY 407 Ca 0.17 0.00 -0.30 0.00 0.00 0.00 0.00 46.02 45.90 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 -0.55 1.34 0.53 1.61 -0.21 -0.38 -5.10 119.66 116.90 2shp s GLN 408 Ca 0.00 -1.98 -0.20 0.00 0.02 0.00 0.00 55.36 53.20 2shp s GLN 408 Cb 0.00 -2.50 -0.06 0.00 1.00 0.00 0.00 33.01 31.45 2shp s GLN 408 CO 0.00 -1.12 1.15 0.20 -2.12 0.00 0.00 175.29 173.41 2shp s GLY 409 N 0.45 2.69 -0.28 3.09 0.00 -1.26 -3.28 107.32 108.72 2shp s GLY 409 Ca 0.16 0.88 0.00 0.00 0.00 0.00 0.00 44.72 45.76 2shp s GLY 409 CO -0.03 1.27 0.00 0.70 0.00 0.00 0.00 173.10 175.04 2shp n ASN 410 N -1.17 -3.33 -0.71 1.64 3.02 -1.26 -4.86 115.26 108.59 2shp n ASN 410 Ca 0.11 0.06 0.08 0.00 -0.03 0.00 0.00 54.58 54.80 2shp n ASN 410 Cb 0.50 -1.06 0.12 0.00 -0.61 0.00 0.00 39.78 38.72 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 -2.92 0.36 -2.10 3.41 -2.24 -1.20 -5.04 114.28 104.55 2shp n THR 411 Ca -0.03 -0.68 -0.41 0.00 -2.27 0.00 0.00 64.05 60.66 2shp n THR 411 Cb 0.09 1.03 -0.02 0.00 -2.10 0.00 0.00 70.33 69.32 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 4.32 0.01 -0.78 2.12 -1.26 -4.55 118.70 117.39 2shp s GLU 412 Ca 0.23 2.21 -0.10 0.00 0.36 0.00 0.00 54.97 57.67 2shp s GLU 412 Cb 0.14 -3.12 0.01 0.00 0.26 0.00 0.00 34.13 31.41 2shp s GLU 412 CO 0.20 -0.32 0.20 -0.98 -0.54 0.00 0.00 175.26 173.83 2shp s ARG 413 N -0.64 0.61 0.06 4.30 3.03 -0.06 -4.98 118.95 121.27 2shp s ARG 413 Ca 0.56 -0.43 -0.28 0.00 2.03 0.00 0.00 55.73 57.61 2shp s ARG 413 Cb -0.40 0.26 -0.05 0.00 -1.03 0.00 0.00 34.95 33.73 2shp s ARG 413 CO 0.44 -0.16 0.89 0.99 -1.13 0.00 0.00 175.30 176.33 2shp s THR 414 N -1.80 4.66 -0.12 4.99 2.01 -1.26 -0.56 115.64 123.56 2shp s THR 414 Ca -0.11 1.91 0.03 0.00 0.31 0.00 0.00 61.69 63.82 2shp s THR 414 Cb -0.05 -4.25 0.01 0.00 0.01 0.00 0.00 72.50 68.23 2shp s THR 414 CO 0.00 0.30 -0.20 -0.69 -0.69 0.00 0.00 174.62 173.34 2shp s VAL 415 N 0.19 1.88 -0.38 3.82 1.01 0.95 -4.73 120.40 123.13 2shp s VAL 415 Ca 0.45 -0.88 -0.13 0.00 0.00 0.00 0.00 61.98 61.41 2shp s VAL 415 Cb -0.22 -1.66 0.01 0.00 0.00 0.00 0.00 36.38 34.51 2shp s VAL 415 CO 0.27 0.52 0.26 0.26 0.00 0.00 0.00 175.10 176.40 2shp s TRP 416 N 0.77 3.23 -0.41 5.22 0.52 -0.15 -0.84 118.94 127.27 2shp s TRP 416 Ca -0.09 -0.58 -0.19 0.00 0.02 0.00 0.00 56.10 55.26 2shp s TRP 416 Cb -0.16 -2.52 0.02 0.00 -1.15 0.00 0.00 33.47 29.66 2shp s TRP 416 CO 0.00 -0.54 0.55 -1.14 0.02 0.00 0.00 176.95 175.85 2shp s GLN 417 N 1.66 3.30 -0.54 4.98 0.74 -0.20 -1.04 119.66 128.56 2shp s GLN 417 Ca 0.05 -0.44 -0.20 0.00 0.05 0.00 0.00 55.36 54.82 2shp s GLN 417 Cb -0.19 -3.92 0.07 0.00 1.10 0.00 0.00 33.01 30.07 2shp s GLN 417 CO 0.09 -0.88 0.70 0.71 -0.55 0.00 0.00 175.29 175.36 2shp s TYR 418 N 2.52 2.98 -0.57 1.67 1.51 0.11 -1.03 117.35 124.54 2shp s TYR 418 Ca 0.19 -0.59 -0.17 0.00 -1.01 0.00 0.00 57.07 55.49 2shp s TYR 418 Cb -0.15 -3.77 0.13 0.00 -0.11 0.00 0.00 41.96 38.06 2shp s TYR 418 CO 0.16 -1.18 0.56 -1.58 -1.11 0.00 0.00 175.55 172.40 2shp s HIS 419 N 2.88 3.22 -0.11 2.71 2.46 0.68 -1.21 115.29 125.92 2shp s HIS 419 Ca 0.16 -1.25 -0.30 0.00 0.47 0.00 0.00 55.06 54.14 2shp s HIS 419 Cb -0.20 -3.85 -0.02 0.00 -0.13 0.00 0.00 32.58 28.38 2shp s HIS 419 CO 0.11 -1.08 1.23 0.12 -2.47 0.00 0.00 174.74 172.64 2shp s PHE 420 N 1.78 3.03 -0.02 3.88 5.36 0.73 -1.08 117.98 131.65 2shp s PHE 420 Ca 0.06 1.12 0.15 0.00 -0.96 0.00 0.00 56.93 57.29 2shp s PHE 420 Cb -0.28 -3.46 -0.22 0.00 -0.34 0.00 0.00 43.02 38.72 2shp s PHE 420 CO 0.03 -1.48 0.32 0.54 -1.46 0.00 0.00 175.22 173.17 2shp n ARG 421 N 5.91 0.44 -0.61 10.12 1.74 0.18 -3.40 116.66 131.04 2shp n ARG 421 Ca 0.12 -0.13 0.08 0.00 -0.77 0.00 0.00 57.85 57.16 2shp n ARG 421 Cb 0.46 -1.34 0.33 0.00 -1.02 0.00 0.00 32.46 30.89 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 -2.00 2.07 -1.84 0.55 -2.24 -1.20 -4.72 114.28 104.90 2shp n THR 422 Ca -0.03 -1.36 -0.42 0.00 -2.27 0.00 0.00 64.05 59.97 2shp n THR 422 Cb 0.38 -0.01 -0.03 0.00 -2.10 0.00 0.00 70.33 68.57 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 -2.17 2.14 0.90 4.78 -0.11 -1.26 -4.90 118.94 118.30 2shp s TRP 423 Ca 0.48 0.10 -0.11 0.00 1.22 0.00 0.00 56.10 57.79 2shp s TRP 423 Cb 0.33 -4.06 0.13 0.00 -1.50 0.00 0.00 33.47 28.38 2shp s TRP 423 CO 0.19 -4.39 1.11 -1.25 -4.62 0.00 0.00 176.95 167.99 2shp s PRO 424 N 3.06 1.21 0.18 5.86 0.04 -1.26 -4.96 135.00 139.12 2shp s PRO 424 Ca 0.78 1.28 -0.06 0.00 0.04 0.00 0.00 61.00 63.05 2shp s PRO 424 Cb -0.41 -1.77 0.07 0.00 0.04 0.00 0.00 34.50 32.43 2shp s PRO 424 CO 0.34 -2.41 1.50 -0.44 0.04 0.00 0.00 177.00 176.03 2shp h ASP 425 N -1.70 0.74 -3.36 6.66 3.32 -1.99 -3.42 116.42 116.68 2shp h ASP 425 Ca -0.46 -0.38 -0.62 0.00 0.02 0.00 0.00 57.03 55.60 2shp h ASP 425 Cb 1.27 -0.21 -0.15 0.00 0.22 0.00 0.00 39.33 40.45 2shp h ASP 425 CO 0.47 1.11 -0.54 -1.00 -1.72 0.00 0.00 179.24 177.56 2shp s HIS 426 N -4.13 3.29 0.00 4.55 3.76 -1.26 -5.03 115.29 116.47 2shp s HIS 426 Ca -0.09 0.12 0.00 0.00 -0.15 0.00 0.00 55.06 54.95 2shp s HIS 426 Cb 0.11 -2.14 0.00 0.00 1.11 0.00 0.00 32.58 31.66 2shp s HIS 426 CO 0.85 0.13 0.00 0.41 -0.85 0.00 0.00 174.74 175.29 2shp n GLY 427 N 3.76 0.91 3.39 -2.22 0.00 -1.26 -4.90 105.19 104.86 2shp n GLY 427 Ca -0.16 -0.80 -0.20 0.00 0.00 0.00 0.00 46.02 44.86 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 1.62 0.19 1.61 -7.23 -1.26 -4.71 120.40 110.62 2shp s VAL 428 Ca 0.00 -2.15 -0.30 0.00 -1.81 0.00 0.00 61.98 57.72 2shp s VAL 428 Cb 0.00 -2.28 -0.17 0.00 0.56 0.00 0.00 36.38 34.49 2shp s VAL 428 CO 0.00 -0.42 0.76 -2.65 -0.31 0.00 0.00 175.10 172.48 2shp n PRO 429 N -0.49 0.43 -0.16 4.82 -0.02 -1.26 -4.83 135.00 133.49 2shp n PRO 429 Ca -0.06 0.15 0.08 0.00 -2.02 0.00 0.00 63.50 61.65 2shp n PRO 429 Cb 0.62 -1.34 0.16 0.00 -0.02 0.00 0.00 33.50 32.92 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 1.78 2.96 -3.94 2.55 3.41 -1.26 -4.85 113.62 114.26 2shp n SER 430 Ca 0.16 -1.87 -0.31 0.00 -0.26 0.00 0.00 58.87 56.59 2shp n SER 430 Cb 0.25 -0.21 -0.15 0.00 -0.26 0.00 0.00 64.21 63.84 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 -1.13 4.25 0.51 4.04 2.15 -1.26 -4.99 116.67 120.25 2shp s ASP 431 Ca 0.28 -1.61 0.33 0.00 0.43 0.00 0.00 52.55 51.98 2shp s ASP 431 Cb 0.16 -1.31 1.43 0.00 -0.30 0.00 0.00 42.92 42.90 2shp s ASP 431 CO 0.22 -0.31 1.98 1.55 -0.17 0.00 0.00 175.17 178.43 2shp h PRO 432 N 7.85 0.00 0.54 4.34 0.14 -1.95 -3.06 132.00 139.86 2shp h PRO 432 Ca -0.13 0.00 -0.02 0.00 0.14 0.00 0.00 66.00 65.99 2shp h PRO 432 Cb 1.04 0.00 -0.01 0.00 0.14 0.00 0.00 31.00 32.17 2shp h PRO 432 CO 0.46 0.00 -0.35 0.78 0.14 0.00 0.00 178.00 179.03 2shp h GLY 433 N 1.77 -0.92 1.56 1.56 0.00 -1.99 -0.53 103.07 104.52 2shp h GLY 433 Ca 0.00 0.39 -0.12 0.00 0.00 0.00 0.00 47.33 47.60 2shp h GLY 433 CO 0.00 -0.33 -0.36 -1.33 0.00 0.00 0.00 176.54 174.52 2shp h GLY 434 N -0.85 0.54 0.99 4.60 0.00 -1.97 -0.24 103.07 106.13 2shp h GLY 434 Ca -0.06 -0.50 -0.01 0.00 0.00 0.00 0.00 47.33 46.76 2shp h GLY 434 CO 0.05 0.45 0.31 -2.08 0.00 0.00 0.00 176.54 175.28 2shp h VAL 435 N 0.42 1.18 0.01 4.60 2.07 -1.57 -1.22 116.25 121.75 2shp h VAL 435 Ca 0.04 -0.45 -0.20 0.00 0.82 0.00 0.00 66.70 66.91 2shp h VAL 435 Cb 0.82 0.47 -0.02 0.00 -1.52 0.00 0.00 31.29 31.05 2shp h VAL 435 CO 0.07 0.19 -0.91 -0.07 0.02 0.00 0.00 177.57 176.87 2shp h LEU 436 N 0.74 0.16 0.05 2.57 3.38 -0.85 -0.76 115.31 120.60 2shp h LEU 436 Ca 0.20 -0.14 0.01 0.00 0.09 0.00 0.00 57.88 58.03 2shp h LEU 436 Cb 0.04 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 40.73 2shp h LEU 436 CO -0.03 0.99 -0.07 0.44 0.09 0.00 0.00 178.44 179.86 2shp h ASP 437 N 0.06 -0.18 -0.20 -0.43 5.19 -0.97 0.81 116.42 120.70 2shp h ASP 437 Ca -0.04 0.02 0.02 0.00 -0.62 0.00 0.00 57.03 56.42 2shp h ASP 437 Cb 1.57 0.07 -0.02 0.00 0.18 0.00 0.00 39.33 41.13 2shp h ASP 437 CO 0.13 -0.10 0.04 0.15 -3.12 0.00 0.00 179.24 176.34 2shp h PHE 438 N -0.14 0.07 -0.67 4.55 3.57 -1.18 -1.64 116.94 121.50 2shp h PHE 438 Ca 0.01 0.01 0.03 0.00 3.53 0.00 0.00 57.97 61.55 2shp h PHE 438 Cb 0.15 -0.00 -0.04 0.00 2.79 0.00 0.00 35.95 38.84 2shp h PHE 438 CO -0.11 0.02 0.41 1.25 -2.23 0.00 0.00 178.31 177.65 2shp h LEU 439 N 0.12 0.68 -0.73 0.59 6.46 -0.93 -1.31 115.31 120.18 2shp h LEU 439 Ca 0.09 0.00 -0.06 0.00 -0.12 0.00 0.00 57.88 57.79 2shp h LEU 439 Cb 0.08 -0.14 -0.03 0.00 -0.73 0.00 0.00 40.66 39.84 2shp h LEU 439 CO -0.12 0.47 0.21 -0.08 -0.62 0.00 0.00 178.44 178.30 2shp h GLU 440 N 0.81 1.15 0.04 1.25 4.57 -0.71 -0.52 114.58 121.17 2shp h GLU 440 Ca 0.27 -0.26 -0.00 0.00 -1.18 0.00 0.00 59.36 58.19 2shp h GLU 440 Cb 0.03 -0.16 0.00 0.00 -0.16 0.00 0.00 28.75 28.46 2shp h GLU 440 CO -0.11 1.00 -0.02 1.49 -1.18 0.00 0.00 179.01 180.19 2shp h GLU 441 N 1.10 -0.05 -0.70 1.92 4.57 -0.93 -0.70 114.58 119.79 2shp h GLU 441 Ca 0.23 0.00 0.06 0.00 -1.18 0.00 0.00 59.36 58.48 2shp h GLU 441 Cb 0.34 0.01 -0.06 0.00 -0.16 0.00 0.00 28.75 28.88 2shp h GLU 441 CO -0.00 0.13 0.39 0.28 -1.18 0.00 0.00 179.01 178.63 2shp h VAL 442 N -0.23 0.96 -0.34 0.32 2.07 -1.13 -0.54 116.25 117.36 2shp h VAL 442 Ca -0.01 -0.25 -0.00 0.00 0.82 0.00 0.00 66.70 67.26 2shp h VAL 442 Cb 0.21 0.18 -0.02 0.00 -1.52 0.00 0.00 31.29 30.14 2shp h VAL 442 CO 0.01 0.13 0.19 -0.74 0.02 0.00 0.00 177.57 177.18 2shp h HIS 443 N 0.72 0.46 -0.04 1.57 -0.00 -0.90 -2.19 115.15 114.76 2shp h HIS 443 Ca 0.32 -0.01 -0.13 0.00 -0.00 0.00 0.00 60.37 60.55 2shp h HIS 443 Cb 0.21 -0.15 -0.01 0.00 -0.00 0.00 0.00 27.41 27.45 2shp h HIS 443 CO -0.07 0.36 -0.56 0.45 -0.00 0.00 0.00 177.93 178.10 2shp h HIS 444 N 0.43 0.17 0.05 5.26 -0.00 -0.29 -1.71 115.15 119.07 2shp h HIS 444 Ca 0.12 -0.06 -0.00 0.00 -0.00 0.00 0.00 60.37 60.43 2shp h HIS 444 Cb 0.04 -0.03 0.00 0.00 -0.00 0.00 0.00 27.41 27.42 2shp h HIS 444 CO -0.03 0.66 -0.03 -0.22 -0.00 0.00 0.00 177.93 178.32 2shp h LYS 445 N 0.10 -0.07 -0.56 2.45 1.63 -0.91 -2.06 116.57 117.16 2shp h LYS 445 Ca -0.00 0.00 0.04 0.00 -0.85 0.00 0.00 60.65 59.84 2shp h LYS 445 Cb 1.02 0.02 -0.04 0.00 -0.60 0.00 0.00 32.23 32.62 2shp h LYS 445 CO 0.08 0.03 0.31 0.37 -3.45 0.00 0.00 179.45 176.79 2shp h GLN 446 N -0.16 0.58 0.00 1.90 5.75 -1.21 -2.62 115.11 119.36 2shp h GLN 446 Ca -0.01 -0.04 -0.05 0.00 -0.15 0.00 0.00 58.65 58.41 2shp h GLN 446 Cb 0.14 -0.13 -0.01 0.00 1.07 0.00 0.00 27.48 28.55 2shp h GLN 446 CO 0.01 0.39 -0.22 1.49 -2.65 0.00 0.00 178.83 177.85 2shp h GLU 447 N 0.60 0.00 0.00 1.69 4.81 -1.19 -2.66 114.58 117.83 2shp h GLU 447 Ca 0.24 0.00 0.00 0.00 -0.13 0.00 0.00 59.36 59.47 2shp h GLU 447 Cb 0.10 0.00 0.00 0.00 0.63 0.00 0.00 28.75 29.48 2shp h GLU 447 CO -0.14 0.22 0.00 -1.13 -0.73 0.00 0.00 179.01 177.23 2shp n SER 448 N -4.22 0.00 -4.39 1.04 3.41 -0.79 -4.71 113.62 103.96 2shp n SER 448 Ca -0.02 0.34 -0.40 0.00 -0.26 0.00 0.00 58.87 58.52 2shp n SER 448 Cb 0.28 -0.44 -0.11 0.00 -0.26 0.00 0.00 64.21 63.67 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 -2.89 4.56 0.10 -1.33 1.01 -1.00 -5.05 121.20 116.59 2shp s ILE 449 Ca 0.17 -0.75 -0.31 0.00 0.00 0.00 0.00 60.65 59.77 2shp s ILE 449 Cb 0.18 -3.48 -0.10 0.00 0.01 0.00 0.00 42.46 39.07 2shp s ILE 449 CO 0.49 -0.15 1.80 0.00 0.00 0.00 0.00 174.94 177.08 2shp s MET 450 N 1.57 4.15 -1.33 2.79 0.00 -1.26 -2.81 119.30 122.41 2shp s MET 450 Ca 0.03 2.53 0.00 0.00 0.00 0.00 0.00 55.69 58.25 2shp s MET 450 Cb -0.19 -3.64 0.00 0.00 0.00 0.00 0.00 34.83 31.00 2shp s MET 450 CO 0.06 -0.83 0.00 -0.25 0.00 0.00 0.00 175.02 174.01 2shp n ASP 451 N 5.82 -4.46 -4.76 -1.18 8.00 -1.26 -4.98 116.55 113.74 2shp n ASP 451 Ca 0.17 0.24 -0.41 0.00 0.71 0.00 0.00 54.79 55.51 2shp n ASP 451 Cb 0.39 -3.24 0.00 0.00 -0.02 0.00 0.00 41.12 38.25 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 0.56 2.10 -1.15 2.24 0.00 -1.12 -5.00 120.51 118.14 2shp n ALA 452 Ca -0.14 0.33 0.00 0.00 0.00 0.00 0.00 53.44 53.63 2shp n ALA 452 Cb 0.47 -2.38 0.00 0.00 0.00 0.00 0.00 19.45 17.54 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 0.54 -0.72 3.50 0.00 0.00 0.16 -4.96 105.19 103.71 2shp n GLY 453 Ca 0.03 -1.70 -0.41 0.00 0.00 0.00 0.00 46.02 43.94 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 -0.63 0.78 -2.52 1.61 -0.02 -1.26 -4.51 135.00 128.44 2shp n PRO 454 Ca 0.00 0.28 -0.43 0.00 -2.02 0.00 0.00 63.50 61.33 2shp n PRO 454 Cb 0.00 -1.69 -0.02 0.00 -0.02 0.00 0.00 33.50 31.77 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 -1.44 4.38 -0.09 -1.45 1.01 -0.30 -4.32 120.40 118.19 2shp s VAL 455 Ca 0.64 1.62 -0.30 0.00 0.00 0.00 0.00 61.98 63.95 2shp s VAL 455 Cb -0.57 -4.20 -0.02 0.00 0.00 0.00 0.00 36.38 31.59 2shp s VAL 455 CO 0.57 -0.32 1.11 -0.69 0.00 0.00 0.00 175.10 175.77 2shp s VAL 456 N 3.70 4.51 -0.05 2.92 1.01 -0.60 -1.52 120.40 130.37 2shp s VAL 456 Ca 0.51 1.81 0.05 0.00 0.00 0.00 0.00 61.98 64.34 2shp s VAL 456 Cb -0.17 -4.16 -0.00 0.00 0.00 0.00 0.00 36.38 32.05 2shp s VAL 456 CO 0.15 -0.01 -0.19 -0.69 0.00 0.00 0.00 175.10 174.36 2shp s VAL 457 N 2.20 1.62 0.03 2.92 1.01 0.27 0.37 120.40 128.81 2shp s VAL 457 Ca 0.52 -0.82 -0.14 0.00 0.00 0.00 0.00 61.98 61.54 2shp s VAL 457 Cb -0.21 -1.39 0.02 0.00 0.00 0.00 0.00 36.38 34.80 2shp s VAL 457 CO 0.19 0.46 0.31 -1.38 0.00 0.00 0.00 175.10 174.68 2shp s HIS 458 N 0.03 -0.13 0.00 5.22 -3.43 -0.31 -1.18 115.29 115.49 2shp s HIS 458 Ca -0.05 0.06 0.00 0.00 -0.80 0.00 0.00 55.06 54.27 2shp s HIS 458 Cb -0.13 0.10 0.00 0.00 -1.43 0.00 0.00 32.58 31.12 2shp s HIS 458 CO 0.03 -0.47 0.00 0.00 -2.00 0.00 0.00 174.74 172.30 2shp n SER 460 N 0.00 0.00 0.13 0.00 3.41 -1.26 -0.67 113.62 115.24 2shp n SER 460 Ca 0.00 0.28 0.13 0.00 -0.26 0.00 0.00 58.87 59.02 2shp n SER 460 Cb 0.00 -0.33 0.36 0.00 -0.26 0.00 0.00 64.21 63.98 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 -1.90 119.26 121.79 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 1.20 0.46 0.00 0.00 0.00 -1.25 -4.30 105.19 101.31 2shp n GLY 462 Ca 0.05 -0.93 0.00 0.00 0.00 0.00 0.00 46.02 45.14 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 -3.27 0.00 0.00 -0.61 -5.35 -1.26 -4.42 119.36 104.45 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 0.19 -0.32 0.00 0.00 -1.74 0.00 0.00 39.64 37.77 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 1.63 1.70 0.28 3.28 0.00 -1.26 -1.44 105.19 109.38 2shp n GLY 464 Ca 0.00 0.00 0.01 0.00 0.00 0.00 0.00 46.02 46.03 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 0.71 -0.28 1.61 3.08 -1.92 -1.40 114.38 116.18 2shp h ARG 465 Ca 0.00 -0.04 0.03 0.00 0.07 0.00 0.00 59.98 60.03 2shp h ARG 465 Cb 0.00 -0.16 -0.03 0.00 0.08 0.00 0.00 29.97 29.86 2shp h ARG 465 CO 0.00 0.47 0.12 1.15 -1.07 0.00 0.00 179.97 180.64 2shp h THR 466 N 0.74 0.95 -0.70 2.04 2.02 -1.85 -1.47 112.91 114.64 2shp h THR 466 Ca 0.35 -0.09 -0.06 0.00 0.77 0.00 0.00 66.41 67.38 2shp h THR 466 Cb 0.27 0.67 -0.03 0.00 -1.74 0.00 0.00 68.15 67.32 2shp h THR 466 CO -0.22 0.05 0.20 1.23 0.37 0.00 0.00 175.52 177.15 2shp h GLY 467 N 0.25 1.16 0.82 2.16 0.00 -1.14 -2.29 103.07 104.03 2shp h GLY 467 Ca 0.12 -0.69 -0.00 0.00 0.00 0.00 0.00 47.33 46.76 2shp h GLY 467 CO -0.11 0.64 -0.03 -0.84 0.00 0.00 0.00 176.54 176.20 2shp h THR 468 N 1.04 1.06 0.02 4.70 2.02 -0.91 -1.22 112.91 119.62 2shp h THR 468 Ca 0.22 -0.42 0.03 0.00 0.77 0.00 0.00 66.41 67.02 2shp h THR 468 Cb 0.31 1.34 -0.05 0.00 -1.74 0.00 0.00 68.15 68.01 2shp h THR 468 CO -0.01 0.10 -0.32 0.15 0.37 0.00 0.00 175.52 175.82 2shp h PHE 469 N -0.27 -0.87 -0.60 3.16 3.57 -1.32 -1.83 116.94 118.79 2shp h PHE 469 Ca -0.01 0.03 0.05 0.00 3.53 0.00 0.00 57.97 61.57 2shp h PHE 469 Cb 0.23 0.38 -0.05 0.00 2.79 0.00 0.00 35.95 39.31 2shp h PHE 469 CO -0.01 -0.41 0.33 0.82 -2.23 0.00 0.00 178.31 176.81 2shp h ILE 470 N -0.48 0.98 -0.26 1.41 2.04 -1.29 -0.08 117.51 119.84 2shp h ILE 470 Ca 0.06 -0.22 -0.03 0.00 1.00 0.00 0.00 64.86 65.67 2shp h ILE 470 Cb 0.56 0.30 -0.01 0.00 -0.74 0.00 0.00 36.82 36.92 2shp h ILE 470 CO -0.25 0.11 0.05 0.58 0.00 0.00 0.00 178.15 178.65 2shp h VAL 471 N 0.63 1.22 -0.31 1.67 2.07 -1.07 0.28 116.25 120.74 2shp h VAL 471 Ca 0.26 -0.73 0.06 0.00 0.82 0.00 0.00 66.70 67.11 2shp h VAL 471 Cb 0.14 1.21 -0.06 0.00 -1.52 0.00 0.00 31.29 31.06 2shp h VAL 471 CO -0.16 0.24 -0.08 0.40 0.02 0.00 0.00 177.57 177.99 2shp h ILE 472 N 0.24 0.69 -0.44 4.57 2.04 -1.07 -1.44 117.51 122.11 2shp h ILE 472 Ca 0.08 -0.00 -0.01 0.00 1.00 0.00 0.00 64.86 65.93 2shp h ILE 472 Cb 0.30 0.69 -0.02 0.00 -0.74 0.00 0.00 36.82 37.05 2shp h ILE 472 CO 0.00 0.00 0.24 -0.78 0.00 0.00 0.00 178.15 177.61 2shp h ASP 473 N 0.00 0.53 -0.18 1.72 3.58 -0.55 -0.18 116.42 121.34 2shp h ASP 473 Ca 0.15 -0.03 -0.06 0.00 0.42 0.00 0.00 57.03 57.51 2shp h ASP 473 Cb 0.23 -0.13 -0.00 0.00 1.72 0.00 0.00 39.33 41.14 2shp h ASP 473 CO -0.32 0.43 -0.11 0.40 -2.88 0.00 0.00 179.24 176.76 2shp h ILE 474 N 0.60 1.32 -0.36 2.25 2.04 -0.36 -1.34 117.51 121.67 2shp h ILE 474 Ca 0.16 -1.19 -0.03 0.00 1.00 0.00 0.00 64.86 64.80 2shp h ILE 474 Cb 0.02 1.72 -0.02 0.00 -0.74 0.00 0.00 36.82 37.81 2shp h ILE 474 CO -0.03 0.36 0.12 -0.07 0.00 0.00 0.00 178.15 178.53 2shp h LEU 475 N 0.07 0.51 -1.23 1.44 3.38 -0.91 -1.90 115.31 116.66 2shp h LEU 475 Ca 0.04 -0.19 -0.07 0.00 0.09 0.00 0.00 57.88 57.74 2shp h LEU 475 Cb 0.61 -0.13 -0.01 0.00 0.09 0.00 0.00 40.66 41.21 2shp h LEU 475 CO 0.03 0.56 -0.25 0.40 0.09 0.00 0.00 178.44 179.28 2shp h ILE 476 N 0.42 1.23 -0.34 1.22 2.04 -1.09 -1.96 117.51 119.04 2shp h ILE 476 Ca 0.12 -1.08 -0.06 0.00 1.00 0.00 0.00 64.86 64.84 2shp h ILE 476 Cb 0.23 1.41 -0.02 0.00 -0.74 0.00 0.00 36.82 37.71 2shp h ILE 476 CO -0.01 0.33 -0.04 0.44 0.00 0.00 0.00 178.15 178.87 2shp h ASP 477 N 0.19 0.52 0.02 1.72 5.19 -0.91 0.12 116.42 123.27 2shp h ASP 477 Ca 0.03 -0.11 -0.00 0.00 -0.62 0.00 0.00 57.03 56.33 2shp h ASP 477 Cb 0.55 -0.14 0.00 0.00 0.18 0.00 0.00 39.33 39.92 2shp h ASP 477 CO 0.04 0.62 -0.01 0.40 -3.12 0.00 0.00 179.24 177.16 2shp h ILE 478 N 0.51 1.12 -0.16 0.35 2.04 -0.62 -2.58 117.51 118.17 2shp h ILE 478 Ca 0.10 -0.44 0.00 0.00 1.00 0.00 0.00 64.86 65.53 2shp h ILE 478 Cb 0.40 1.41 -0.01 0.00 -0.74 0.00 0.00 36.82 37.88 2shp h ILE 478 CO 0.02 0.11 0.10 0.40 0.00 0.00 0.00 178.15 178.78 2shp h ILE 479 N -0.22 1.05 0.00 -0.67 2.04 -1.20 -0.17 117.51 118.35 2shp h ILE 479 Ca -0.00 -0.11 -0.01 0.00 1.00 0.00 0.00 64.86 65.74 2shp h ILE 479 Cb 0.21 0.84 -0.00 0.00 -0.74 0.00 0.00 36.82 37.13 2shp h ILE 479 CO 0.01 0.05 -0.03 0.08 0.00 0.00 0.00 178.15 178.26 2shp h ARG 480 N 0.21 0.00 0.01 2.37 0.11 -0.76 0.21 114.38 116.53 2shp h ARG 480 Ca 0.06 0.00 -0.38 0.00 0.10 0.00 0.00 59.98 59.75 2shp h ARG 480 Cb -0.01 0.00 -0.06 0.00 1.11 0.00 0.00 29.97 31.02 2shp h ARG 480 CO -0.01 0.03 -2.14 -1.91 0.10 0.00 0.00 179.97 176.03 2shp n GLU 481 N -3.35 0.61 -0.10 0.08 2.13 -0.97 -4.46 120.64 114.57 2shp n GLU 481 Ca -0.02 0.33 0.10 0.00 0.66 0.00 0.00 57.16 58.23 2shp n GLU 481 Cb 0.14 -1.58 0.33 0.00 0.27 0.00 0.00 31.44 30.60 2shp n GLU 481 CO 0.00 0.00 0.00 1.63 -0.41 0.00 0.00 177.13 178.35 2shp n LYS 482 N -4.10 1.83 -0.31 5.31 4.76 -0.09 -5.06 118.16 120.50 2shp n LYS 482 Ca -0.45 -1.25 0.04 0.00 -2.87 0.00 0.00 58.31 53.78 2shp n LYS 482 Cb 0.86 -1.40 -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 1.17 -2.02 0.00 0.72 0.00 0.73 -4.33 105.19 101.46 2shp n GLY 483 Ca 0.16 -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 -2.75 0.97 1.45 1.61 3.14 -1.26 -2.84 118.33 118.64 2shp n VAL 484 Ca -0.01 0.24 0.14 0.00 -2.96 0.00 0.00 64.34 61.75 2shp n VAL 484 Cb 0.14 -1.03 0.54 0.00 -1.06 0.00 0.00 33.84 32.43 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 -1.42 1.00 -4.82 6.55 8.00 -1.26 -0.33 116.55 124.27 2shp n ASP 485 Ca 0.04 -1.07 -0.31 0.00 0.71 0.00 0.00 54.79 54.16 2shp n ASP 485 Cb 0.13 0.03 0.05 0.00 -0.02 0.00 0.00 41.12 41.31 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 -3.71 7.50 0.09 0.00 1.01 -1.26 0.65 116.67 120.95 2shp s ASP 487 Ca 0.59 1.78 0.05 0.00 0.71 0.00 0.00 52.55 55.67 2shp s ASP 487 Cb -0.14 -2.55 -0.03 0.00 1.01 0.00 0.00 42.92 41.21 2shp s ASP 487 CO 0.54 0.17 -0.13 0.27 0.21 0.00 0.00 175.17 176.23 2shp s ILE 488 N -1.08 1.12 -0.29 0.77 -4.36 0.18 -4.85 121.20 112.69 2shp s ILE 488 Ca 0.38 -1.45 -0.02 0.00 -0.26 0.00 0.00 60.65 59.30 2shp s ILE 488 Cb -0.24 -1.22 0.10 0.00 1.25 0.00 0.00 42.46 42.35 2shp s ILE 488 CO 0.29 -0.33 0.11 -0.62 0.24 0.00 0.00 174.94 174.63 2shp s ASP 489 N -2.02 3.69 0.03 4.36 -1.08 -1.26 -0.72 116.67 119.68 2shp s ASP 489 Ca 0.02 -1.40 -0.26 0.00 -0.52 0.00 0.00 52.55 50.38 2shp s ASP 489 Cb -0.08 -0.61 -0.17 0.00 -1.46 0.00 0.00 42.92 40.60 2shp s ASP 489 CO 0.02 -0.42 1.41 0.58 0.52 0.00 0.00 175.17 177.29 2shp h VAL 490 N 6.46 0.76 -0.84 1.11 2.07 -2.00 -1.22 116.25 122.59 2shp h VAL 490 Ca -0.17 -0.42 0.05 0.00 0.82 0.00 0.00 66.70 66.98 2shp h VAL 490 Cb 1.02 0.99 -0.06 0.00 -1.52 0.00 0.00 31.29 31.73 2shp h VAL 490 CO 0.44 0.09 0.52 -0.65 0.02 0.00 0.00 177.57 178.00 2shp h PRO 491 N -0.60 0.95 -0.68 1.57 0.11 -1.95 -1.62 132.00 129.78 2shp h PRO 491 Ca -0.04 -0.06 -0.04 0.00 0.11 0.00 0.00 66.00 65.97 2shp h PRO 491 Cb 0.44 -0.22 -0.03 0.00 0.11 0.00 0.00 31.00 31.30 2shp h PRO 491 CO 0.06 0.63 0.26 -0.22 -0.21 0.00 0.00 178.00 178.52 2shp h LYS 492 N 0.98 1.02 -0.53 1.05 3.64 -1.96 -0.68 116.57 120.10 2shp h LYS 492 Ca 0.35 -0.20 -0.03 0.00 -1.27 0.00 0.00 60.65 59.51 2shp h LYS 492 Cb 0.11 -0.16 -0.02 0.00 -0.41 0.00 0.00 32.23 31.74 2shp h LYS 492 CO -0.15 0.86 0.22 1.15 -2.27 0.00 0.00 179.45 179.27 2shp h THR 493 N 0.97 1.21 0.05 1.00 2.02 -0.80 -1.26 112.91 116.10 2shp h THR 493 Ca 0.22 -0.64 -0.00 0.00 0.77 0.00 0.00 66.41 66.76 2shp h THR 493 Cb 0.23 0.65 0.00 0.00 -1.74 0.00 0.00 68.15 67.29 2shp h THR 493 CO -0.02 0.25 -0.02 0.40 0.37 0.00 0.00 175.52 176.50 2shp h ILE 494 N 0.71 0.99 -0.77 3.11 2.04 -1.00 -1.53 117.51 121.06 2shp h ILE 494 Ca 0.18 -0.15 0.10 0.00 1.00 0.00 0.00 64.86 65.99 2shp h ILE 494 Cb 0.17 1.09 -0.08 0.00 -0.74 0.00 0.00 36.82 37.27 2shp h ILE 494 CO -0.02 0.04 0.41 -0.61 0.00 0.00 0.00 178.15 177.97 2shp h GLN 495 N -0.13 0.65 -0.84 2.37 5.75 -1.10 0.29 115.11 122.10 2shp h GLN 495 Ca -0.01 -0.04 0.02 0.00 -0.15 0.00 0.00 58.65 58.47 2shp h GLN 495 Cb 0.11 -0.15 -0.04 0.00 1.07 0.00 0.00 27.48 28.47 2shp h GLN 495 CO 0.01 0.43 0.55 1.98 -2.65 0.00 0.00 178.83 179.15 2shp h MET 496 N 0.67 1.07 0.04 1.69 4.05 -0.89 -2.54 114.93 119.01 2shp h MET 496 Ca 0.38 -0.06 -0.23 0.00 -0.28 0.00 0.00 59.70 59.51 2shp h MET 496 Cb 0.41 -0.24 -0.00 0.00 -0.80 0.00 0.00 31.60 30.97 2shp h MET 496 CO -0.28 0.71 -1.01 0.28 0.23 0.00 0.00 176.91 176.84 2shp h VAL 497 N 1.10 1.47 0.00 -5.77 2.07 -0.04 -3.17 116.25 111.90 2shp h VAL 497 Ca 0.32 -2.71 0.00 0.00 0.82 0.00 0.00 66.70 65.13 2shp h VAL 497 Cb -0.07 2.60 0.00 0.00 -1.52 0.00 0.00 31.29 32.29 2shp h VAL 497 CO -0.08 0.80 0.00 0.03 0.02 0.00 0.00 177.57 178.34 2shp h ARG 498 N 0.14 0.00 -0.00 1.57 3.08 -0.33 -0.30 114.38 118.54 2shp h ARG 498 Ca -0.08 0.00 0.00 0.00 0.07 0.00 0.00 59.98 59.97 2shp h ARG 498 Cb 1.67 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.72 2shp h ARG 498 CO 0.16 0.00 -0.11 -1.13 -1.07 0.00 0.00 179.97 177.83 2shp n SER 499 N -2.34 0.45 -0.00 7.04 3.41 -0.97 -3.77 113.62 117.44 2shp n SER 499 Ca 0.01 -0.56 0.05 0.00 -0.26 0.00 0.00 58.87 58.12 2shp n SER 499 Cb 0.20 -0.08 -0.08 0.00 -0.26 0.00 0.00 64.21 63.99 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 -0.97 0.43 -3.67 4.33 6.02 -0.15 -5.00 117.38 118.36 2shp n GLN 500 Ca 0.14 -0.09 -0.13 0.00 -0.01 0.00 0.00 57.00 56.91 2shp n GLN 500 Cb 0.28 -1.22 -0.08 0.00 1.02 0.00 0.00 30.24 30.23 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 -2.66 0.68 0.25 -1.09 3.52 -1.01 -4.65 118.95 113.99 2shp s ARG 501 Ca -0.03 0.82 -0.31 0.00 -0.13 0.00 0.00 55.73 56.08 2shp s ARG 501 Cb 0.06 0.32 -0.11 0.00 -1.56 0.00 0.00 34.95 33.66 2shp s ARG 501 CO 0.41 -0.08 1.59 -1.12 -0.81 0.00 0.00 175.30 175.29 2shp s SER 502 N 0.36 6.45 -1.36 -2.12 0.01 -1.26 -3.34 113.70 112.44 2shp s SER 502 Ca -0.00 2.84 0.00 0.00 1.31 0.00 0.00 55.95 60.10 2shp s SER 502 Cb -0.04 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.57 2shp s SER 502 CO 0.00 -0.88 0.00 0.61 0.41 0.00 0.00 173.24 173.38 2shp n GLY 503 N 2.76 0.81 3.68 3.44 0.00 -1.26 -4.84 105.19 109.77 2shp n GLY 503 Ca 0.10 -0.35 -0.43 0.00 0.00 0.00 0.00 46.02 45.35 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 -2.49 2.78 -1.63 1.61 0.00 -1.21 -3.95 117.12 112.22 2shp n MET 504 Ca -0.15 1.01 0.00 0.00 0.00 0.00 0.00 57.70 58.57 2shp n MET 504 Cb 0.52 -2.93 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 5.04 -9.24 -0.12 2.03 0.31 -0.52 -4.74 118.33 111.09 2shp n VAL 505 Ca 0.19 2.09 -0.21 0.00 -0.01 0.00 0.00 64.34 66.40 2shp n VAL 505 Cb 0.38 -4.53 -0.10 0.00 -0.91 0.00 0.00 33.84 28.68 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 1.17 0.57 -4.46 5.55 1.13 -1.25 -4.95 117.38 115.13 2shp n GLN 506 Ca 0.00 0.17 -0.27 0.00 -1.94 0.00 0.00 57.00 54.97 2shp n GLN 506 Cb 0.00 -1.44 -0.10 0.00 0.11 0.00 0.00 30.24 28.81 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 -2.47 2.12 0.18 5.09 -4.23 -1.26 -4.96 115.64 110.10 2shp s THR 507 Ca -0.33 -1.91 -0.05 0.00 -1.18 0.00 0.00 61.69 58.22 2shp s THR 507 Cb 0.10 -2.99 -0.06 0.00 1.34 0.00 0.00 72.50 70.89 2shp s THR 507 CO 0.51 -0.01 1.49 -0.08 -0.54 0.00 0.00 174.62 175.98 2shp h GLU 508 N 1.67 0.62 -0.84 3.99 4.22 -1.97 -1.76 114.58 120.51 2shp h GLU 508 Ca -0.44 -0.39 0.03 0.00 0.08 0.00 0.00 59.36 58.64 2shp h GLU 508 Cb 1.24 0.05 -0.05 0.00 0.50 0.00 0.00 28.75 30.49 2shp h GLU 508 CO 0.77 1.01 0.54 0.00 -2.18 0.00 0.00 179.01 179.15 2shp h ALA 509 N 0.91 1.11 -0.33 2.92 0.00 -1.99 0.82 119.26 122.69 2shp h ALA 509 Ca 0.01 -0.04 -0.13 0.00 0.00 0.00 0.00 54.91 54.75 2shp h ALA 509 Cb 1.10 -0.30 -0.01 0.00 0.00 0.00 0.00 17.79 18.59 2shp h ALA 509 CO 0.11 0.39 -0.33 1.96 0.00 0.00 0.00 179.25 181.38 2shp h GLN 510 N 1.06 0.73 0.49 0.00 4.20 -1.93 -2.02 115.11 117.64 2shp h GLN 510 Ca 0.33 -0.34 -0.02 0.00 0.06 0.00 0.00 58.65 58.68 2shp h GLN 510 Cb -0.01 -0.01 0.00 0.00 0.30 0.00 0.00 27.48 27.77 2shp h GLN 510 CO -0.11 0.96 -0.23 -0.92 -0.67 0.00 0.00 178.83 177.85 2shp h TYR 511 N 0.62 -0.61 -0.89 2.96 3.20 -0.11 -1.97 116.97 120.16 2shp h TYR 511 Ca 0.07 -0.01 0.15 0.00 3.14 0.00 0.00 58.73 62.07 2shp h TYR 511 Cb 0.86 0.20 -0.10 0.00 1.54 0.00 0.00 36.73 39.23 2shp h TYR 511 CO 0.04 -0.38 0.48 -0.09 -1.64 0.00 0.00 178.16 176.58 2shp h ARG 512 N -0.66 0.65 -0.43 1.82 2.43 -1.00 -2.48 114.38 114.70 2shp h ARG 512 Ca -0.07 -0.04 0.05 0.00 -0.81 0.00 0.00 59.98 59.12 2shp h ARG 512 Cb 0.50 -0.15 -0.02 0.00 -0.42 0.00 0.00 29.97 29.88 2shp h ARG 512 CO 0.11 0.43 0.29 0.66 -1.51 0.00 0.00 179.97 179.95 2shp h SER 513 N 0.67 0.32 -0.63 -3.80 4.64 -0.74 -0.87 113.55 113.14 2shp h SER 513 Ca 0.49 -0.00 -0.09 0.00 -0.47 0.00 0.00 61.79 61.72 2shp h SER 513 Cb 0.69 -0.07 -0.02 0.00 -0.31 0.00 0.00 62.40 62.69 2shp h SER 513 CO -0.36 0.21 0.04 0.40 -0.87 0.00 0.00 176.83 176.25 2shp h ILE 514 N 0.37 1.27 0.15 0.95 2.04 -0.90 -0.54 117.51 120.85 2shp h ILE 514 Ca 0.19 -1.11 -0.01 0.00 1.00 0.00 0.00 64.86 64.93 2shp h ILE 514 Cb 0.28 0.74 0.00 0.00 -0.74 0.00 0.00 36.82 37.10 2shp h ILE 514 CO -0.04 0.41 -0.07 1.88 0.00 0.00 0.00 178.15 180.32 2shp h TYR 515 N 0.99 -0.19 -0.80 1.37 0.05 -1.20 -2.44 116.97 114.74 2shp h TYR 515 Ca 0.18 -0.00 0.13 0.00 0.05 0.00 0.00 58.73 59.09 2shp h TYR 515 Cb 0.51 0.06 -0.09 0.00 1.01 0.00 0.00 36.73 38.23 2shp h TYR 515 CO 0.04 0.10 0.40 0.52 -1.05 0.00 0.00 178.16 178.17 2shp h MET 516 N -0.48 0.59 -0.39 4.88 2.86 -1.17 0.21 114.93 121.43 2shp h MET 516 Ca -0.02 -0.04 -0.04 0.00 -2.06 0.00 0.00 59.70 57.54 2shp h MET 516 Cb 0.38 -0.13 -0.02 0.00 0.06 0.00 0.00 31.60 31.89 2shp h MET 516 CO 0.03 0.39 0.09 0.00 1.06 0.00 0.00 176.91 178.49 2shp h ALA 517 N 1.52 0.52 -0.21 6.32 0.00 -1.05 -0.34 119.26 126.01 2shp h ALA 517 Ca 0.42 -0.19 -0.12 0.00 0.00 0.00 0.00 54.91 55.02 2shp h ALA 517 Cb 0.55 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 18.18 2shp h ALA 517 CO -0.33 0.20 -0.36 0.28 0.00 0.00 0.00 179.25 179.03 2shp h VAL 518 N 0.49 1.29 0.31 0.00 2.07 -0.90 -1.28 116.25 118.24 2shp h VAL 518 Ca 0.12 -1.48 -0.02 0.00 0.82 0.00 0.00 66.70 66.15 2shp h VAL 518 Cb 0.32 1.53 0.00 0.00 -1.52 0.00 0.00 31.29 31.62 2shp h VAL 518 CO 0.00 0.46 -0.15 -0.61 0.02 0.00 0.00 177.57 177.29 2shp h GLN 519 N 0.39 -0.40 -0.20 1.57 4.15 -0.29 0.19 115.11 120.51 2shp h GLN 519 Ca 0.04 0.03 0.04 0.00 0.77 0.00 0.00 58.65 59.53 2shp h GLN 519 Cb 0.82 0.09 -0.03 0.00 0.21 0.00 0.00 27.48 28.57 2shp h GLN 519 CO 0.07 -0.21 -0.02 1.25 -1.93 0.00 0.00 178.83 177.99 2shp h HIS 520 N -0.52 -0.05 -0.51 3.99 2.76 -0.99 0.30 115.15 120.13 2shp h HIS 520 Ca -0.04 0.02 0.09 0.00 -2.20 0.00 0.00 60.37 58.24 2shp h HIS 520 Cb 0.39 0.05 -0.08 0.00 1.55 0.00 0.00 27.41 29.32 2shp h HIS 520 CO -0.03 -0.05 0.07 -0.92 -1.30 0.00 0.00 177.93 175.69 2shp h TYR 521 N 0.04 0.10 -0.19 5.26 3.20 -1.06 0.11 116.97 124.42 2shp h TYR 521 Ca 0.09 0.03 -0.00 0.00 3.14 0.00 0.00 58.73 61.99 2shp h TYR 521 Cb 0.13 0.04 -0.01 0.00 1.54 0.00 0.00 36.73 38.43 2shp h TYR 521 CO -0.19 -0.05 0.10 0.82 -1.64 0.00 0.00 178.16 177.20 2shp h ILE 522 N 0.19 1.10 0.00 1.81 1.08 0.13 -2.88 117.51 118.95 2shp h ILE 522 Ca 0.26 -0.28 0.00 0.00 -0.39 0.00 0.00 64.86 64.45 2shp h ILE 522 Cb 0.37 0.94 0.00 0.00 -3.07 0.00 0.00 36.82 35.06 2shp h ILE 522 CO -0.37 0.10 0.00 -1.84 -0.69 0.00 0.00 178.15 175.35 2shp n GLU 523 N -4.90 0.70 -1.01 2.37 0.28 0.96 -0.69 120.64 118.35 2shp n GLU 523 Ca -0.04 0.01 -0.13 0.00 -0.16 0.00 0.00 57.16 56.84 2shp n GLU 523 Cb 0.07 -1.50 0.19 0.00 1.43 0.00 0.00 31.44 31.63 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 -1.11 2.84 -0.79 3.84 -2.24 0.33 -5.04 114.28 112.11 2shp n THR 524 Ca 0.18 -2.47 0.00 0.00 -2.27 0.00 0.00 64.05 59.49 2shp n THR 524 Cb 0.15 -0.41 0.00 0.00 -2.10 0.00 0.00 70.33 67.96 2shp n THR 524 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68