#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1xwt n PHE 2 N 0.00 2.65 -2.62 0.00 7.35 -1.19 -4.68 117.46 118.98 1xwt n PHE 2 Ca 0.00 0.10 -0.41 0.00 -0.76 0.00 0.00 57.45 56.38 1xwt n PHE 2 Cb 0.00 -2.64 -0.03 0.00 0.35 0.00 0.00 39.48 37.16 1xwt n PHE 2 CO 0.00 0.00 0.00 1.21 -0.76 0.00 0.00 176.76 177.21 1xwt s ASN 3 N 1.07 6.16 -0.02 -2.13 3.84 -1.26 -4.87 114.94 117.73 1xwt s ASN 3 Ca 0.75 -0.57 0.08 0.00 0.21 0.00 0.00 52.86 53.33 1xwt s ASN 3 Cb -0.54 -2.53 0.25 0.00 -0.55 0.00 0.00 41.25 37.88 1xwt s ASN 3 CO 0.34 -1.75 1.15 -0.46 -2.79 0.00 0.00 177.10 173.59 1xwt n ASN 4 N 9.01 1.69 -3.19 -4.21 6.94 -1.26 -4.23 115.26 120.01 1xwt n ASN 4 Ca 0.02 -2.07 -0.25 0.00 -0.02 0.00 0.00 54.58 52.26 1xwt n ASN 4 Cb 0.48 -0.26 -0.06 0.00 -2.36 0.00 0.00 39.78 37.59 1xwt n ASN 4 CO 0.00 0.00 0.00 -3.20 -1.03 0.00 0.00 177.26 173.03 1xwt n ASN 5 N 0.27 2.71 -4.77 0.53 5.15 -1.26 -4.43 115.26 113.46 1xwt n ASN 5 Ca 0.09 -3.29 -0.41 0.00 -0.60 0.00 0.00 54.58 50.37 1xwt n ASN 5 Cb 0.30 -0.62 -0.00 0.00 -0.53 0.00 0.00 39.78 38.93 1xwt n ASN 5 CO 0.00 0.00 0.00 -0.81 1.40 0.00 0.00 177.26 177.85 1xwt n PRO 6 N 0.52 2.65 -2.01 1.20 -0.04 -1.26 -4.90 135.00 131.16 1xwt n PRO 6 Ca 0.28 0.93 -0.39 0.00 -0.04 0.00 0.00 63.50 64.28 1xwt n PRO 6 Cb 0.48 -2.66 0.01 0.00 -0.04 0.00 0.00 33.50 31.29 1xwt n PRO 6 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 1xwt s SER 7 N -0.11 6.00 0.03 3.54 0.15 -1.26 -4.65 113.70 117.40 1xwt s SER 7 Ca 0.54 2.64 0.22 0.00 0.70 0.00 0.00 55.95 60.05 1xwt s SER 7 Cb -0.48 -2.63 0.93 0.00 -1.71 0.00 0.00 66.02 62.13 1xwt s SER 7 CO 0.63 -1.06 1.71 -1.54 1.20 0.00 0.00 173.24 174.17 1xwt n SER 8 N -0.30 0.09 -4.64 5.45 3.41 -1.26 -1.30 113.62 115.07 1xwt n SER 8 Ca 0.06 0.51 -0.37 0.00 -0.26 0.00 0.00 58.87 58.81 1xwt n SER 8 Cb 0.45 -0.54 -0.10 0.00 -0.26 0.00 0.00 64.21 63.77 1xwt n SER 8 CO 0.00 0.00 0.00 0.54 -0.16 0.00 0.00 175.04 175.42 1xwt s VAL 9 N -3.02 5.32 0.66 -3.33 0.11 -1.26 -4.29 120.40 114.58 1xwt s VAL 9 Ca 0.10 0.25 -0.11 0.00 -2.93 0.00 0.00 61.98 59.30 1xwt s VAL 9 Cb 0.14 -3.54 -0.02 0.00 -1.53 0.00 0.00 36.38 31.43 1xwt s VAL 9 CO 0.41 0.31 1.05 -0.83 -3.33 0.00 0.00 175.10 172.71 1xwt s GLY 10 N 1.23 1.66 0.48 6.54 0.00 -1.24 -4.52 107.32 111.46 1xwt s GLY 10 Ca 0.09 -0.09 0.16 0.00 0.00 0.00 0.00 44.72 44.88 1xwt s GLY 10 CO 0.06 0.21 2.05 0.00 0.00 0.00 0.00 173.10 175.43 1xwt h ALA 11 N -0.50 2.09 -0.66 3.20 0.00 -0.81 -1.55 119.26 121.02 1xwt h ALA 11 Ca -0.44 -0.01 -0.05 0.00 0.00 0.00 0.00 54.91 54.41 1xwt h ALA 11 Cb 1.21 -0.04 -0.03 0.00 0.00 0.00 0.00 17.79 18.93 1xwt h ALA 11 CO 0.61 -0.17 0.22 -0.92 0.00 0.00 0.00 179.25 178.99 1xwt h TYR 12 N 0.20 1.03 0.11 0.00 3.20 -1.40 0.57 116.97 120.69 1xwt h TYR 12 Ca 0.16 -0.09 -0.19 0.00 3.14 0.00 0.00 58.73 61.76 1xwt h TYR 12 Cb 0.40 -0.31 0.02 0.00 1.54 0.00 0.00 36.73 38.38 1xwt h TYR 12 CO -0.00 0.82 -0.81 1.03 -1.64 0.00 0.00 178.16 177.56 1xwt h SER 13 N 0.98 0.51 0.93 -2.11 0.87 -1.61 -3.38 113.55 109.73 1xwt h SER 13 Ca 0.22 -0.91 -0.16 0.00 -1.23 0.00 0.00 61.79 59.71 1xwt h SER 13 Cb 0.26 -0.16 -0.03 0.00 -0.44 0.00 0.00 62.40 62.03 1xwt h SER 13 CO -0.01 1.38 -1.15 0.77 -0.53 0.00 0.00 176.83 177.29 1xwt h SER 14 N -0.27 0.00 0.00 6.23 4.64 -1.27 -3.48 113.55 119.40 1xwt h SER 14 Ca -0.13 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.19 1xwt h SER 14 Cb 1.60 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.69 1xwt h SER 14 CO 0.15 0.61 0.00 0.61 -0.87 0.00 0.00 176.83 177.33 1xwt n GLY 15 N 1.35 0.82 3.48 -0.77 0.00 0.19 -5.02 105.19 105.23 1xwt n GLY 15 Ca -0.06 0.00 -0.43 0.00 0.00 0.00 0.00 46.02 45.53 1xwt n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1xwt s THR 16 N -3.38 5.10 -0.18 2.61 2.01 -1.25 -5.03 115.64 115.52 1xwt s THR 16 Ca 0.00 -0.41 -0.12 0.00 0.31 0.00 0.00 61.69 61.47 1xwt s THR 16 Cb 0.00 -4.05 -0.05 0.00 0.01 0.00 0.00 72.50 68.42 1xwt s THR 16 CO 0.00 -0.44 0.21 -0.31 -0.69 0.00 0.00 174.62 173.40 1xwt s TYR 17 N 2.10 3.43 0.51 4.92 1.51 -1.26 -4.21 117.35 124.35 1xwt s TYR 17 Ca 0.11 0.46 -0.21 0.00 -1.01 0.00 0.00 57.07 56.42 1xwt s TYR 17 Cb -0.18 -2.26 -0.06 0.00 -0.11 0.00 0.00 41.96 39.36 1xwt s TYR 17 CO 0.13 0.26 1.19 1.03 -1.11 0.00 0.00 175.55 177.05 1xwt s ARG 18 N 0.44 3.45 -0.52 -0.62 0.52 -1.26 -4.94 118.95 116.01 1xwt s ARG 18 Ca 0.12 1.82 0.01 0.00 -0.52 0.00 0.00 55.73 57.16 1xwt s ARG 18 Cb -0.12 -2.22 0.13 0.00 0.52 0.00 0.00 34.95 33.27 1xwt s ARG 18 CO 0.01 -0.82 0.29 1.21 0.02 0.00 0.00 175.30 176.01 1xwt s ASN 19 N -1.43 4.73 0.23 0.23 3.84 -1.26 -3.23 114.94 118.06 1xwt s ASN 19 Ca 0.69 -2.79 -0.07 0.00 0.21 0.00 0.00 52.86 50.90 1xwt s ASN 19 Cb -0.30 -1.72 0.21 0.00 -0.55 0.00 0.00 41.25 38.89 1xwt s ASN 19 CO 0.35 -0.31 1.86 0.25 -2.79 0.00 0.00 177.10 176.45 1xwt h LEU 20 N 6.91 1.11 -1.23 3.21 5.85 -1.74 -1.13 115.31 128.30 1xwt h LEU 20 Ca -0.06 -0.09 -0.00 0.00 0.84 0.00 0.00 57.88 58.57 1xwt h LEU 20 Cb 0.94 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 41.65 1xwt h LEU 20 CO 0.68 0.87 0.43 0.00 -0.34 0.00 0.00 178.44 180.08 1xwt h ALA 21 N 1.28 1.42 -0.22 1.25 0.00 -1.40 -1.09 119.26 120.50 1xwt h ALA 21 Ca 0.32 -0.08 -0.13 0.00 0.00 0.00 0.00 54.91 55.03 1xwt h ALA 21 Cb -0.01 -0.29 -0.00 0.00 0.00 0.00 0.00 17.79 17.50 1xwt h ALA 21 CO -0.05 0.50 -0.36 0.37 0.00 0.00 0.00 179.25 179.71 1xwt h GLN 22 N 0.98 0.63 -0.87 0.00 4.15 -1.59 -1.71 115.11 116.70 1xwt h GLN 22 Ca 0.26 -0.38 0.17 0.00 0.77 0.00 0.00 58.65 59.47 1xwt h GLN 22 Cb -0.05 0.04 -0.07 0.00 0.21 0.00 0.00 27.48 27.62 1xwt h GLN 22 CO -0.05 1.00 0.57 0.93 -1.93 0.00 0.00 178.83 179.35 1xwt h GLU 23 N 0.32 0.49 -0.18 1.69 5.08 -0.72 -1.14 114.58 120.12 1xwt h GLU 23 Ca 0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.35 1xwt h GLU 23 Cb 0.95 -0.11 0.00 0.00 0.50 0.00 0.00 28.75 30.09 1xwt h GLU 23 CO 0.08 0.32 0.00 -1.33 -1.00 0.00 0.00 179.01 177.09 1xwt n MET 24 N -4.53 1.54 -0.89 2.33 2.81 -0.46 -0.72 117.12 117.21 1xwt n MET 24 Ca 0.18 -0.83 0.00 0.00 -1.81 0.00 0.00 57.70 55.24 1xwt n MET 24 Cb 0.59 -1.28 0.00 0.00 -0.71 0.00 0.00 33.22 31.82 1xwt n MET 24 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xwt n GLY 25 N 0.96 0.49 3.87 3.03 0.00 -0.43 -5.00 105.19 108.11 1xwt n GLY 25 Ca 0.12 -0.65 -0.30 0.00 0.00 0.00 0.00 46.02 45.18 1xwt n GLY 25 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1xwt s LYS 26 N -1.22 3.70 0.38 1.61 -0.14 -0.68 -5.02 119.74 118.35 1xwt s LYS 26 Ca 0.00 0.64 0.06 0.00 -1.36 0.00 0.00 55.97 55.32 1xwt s LYS 26 Cb 0.00 -2.20 -0.07 0.00 -1.68 0.00 0.00 37.83 33.87 1xwt s LYS 26 CO 0.00 -0.34 0.01 0.95 -0.76 0.00 0.00 175.35 175.21 1xwt s THR 27 N -2.83 1.81 -1.57 2.17 -4.23 -1.26 -4.65 115.64 105.08 1xwt s THR 27 Ca 0.54 -2.03 -0.15 0.00 -1.18 0.00 0.00 61.69 58.87 1xwt s THR 27 Cb -0.10 -2.88 0.11 0.00 1.34 0.00 0.00 72.50 70.96 1xwt s THR 27 CO 0.43 -0.04 0.88 -0.46 -0.54 0.00 0.00 174.62 174.90 1xwt n ASN 28 N -0.86 -4.34 0.07 3.99 0.23 -1.26 -4.89 115.26 108.20 1xwt n ASN 28 Ca -0.04 -0.81 -0.13 0.00 -0.53 0.00 0.00 54.58 53.07 1xwt n ASN 28 Cb 0.66 -3.49 -0.09 0.00 -2.08 0.00 0.00 39.78 34.78 1xwt n ASN 28 CO 0.00 0.00 0.00 0.40 -0.93 0.00 0.00 177.26 176.73 1xwt h ILE 29 N -1.81 1.02 -0.42 1.53 2.04 -2.00 -2.23 117.51 115.65 1xwt h ILE 29 Ca -0.57 -0.71 -0.08 0.00 1.00 0.00 0.00 64.86 64.50 1xwt h ILE 29 Cb 1.37 1.46 -0.02 0.00 -0.74 0.00 0.00 36.82 38.90 1xwt h ILE 29 CO 0.69 0.17 -0.08 1.56 0.00 0.00 0.00 178.15 180.49 1xwt h GLN 30 N -0.52 0.72 -0.65 2.37 1.08 -1.95 -1.68 115.11 114.48 1xwt h GLN 30 Ca -0.02 -0.22 0.05 0.00 -1.45 0.00 0.00 58.65 57.01 1xwt h GLN 30 Cb 0.41 -0.07 -0.05 0.00 -0.05 0.00 0.00 27.48 27.72 1xwt h GLN 30 CO 0.03 0.78 0.38 0.37 -0.95 0.00 0.00 178.83 179.44 1xwt h GLN 31 N 0.66 0.69 -0.50 1.46 5.75 -1.94 -0.45 115.11 120.78 1xwt h GLN 31 Ca 0.12 -0.04 -0.09 0.00 -0.15 0.00 0.00 58.65 58.49 1xwt h GLN 31 Cb 0.52 -0.16 -0.02 0.00 1.07 0.00 0.00 27.48 28.90 1xwt h GLN 31 CO 0.03 0.46 -0.03 -0.22 -2.65 0.00 0.00 178.83 176.41 1xwt h LYS 32 N 0.71 0.91 -0.40 1.69 3.64 -0.92 -0.35 116.57 121.86 1xwt h LYS 32 Ca 0.28 -0.31 0.01 0.00 -1.27 0.00 0.00 60.65 59.37 1xwt h LYS 32 Cb 0.13 -0.07 -0.02 0.00 -0.41 0.00 0.00 32.23 31.85 1xwt h LYS 32 CO -0.15 0.95 0.24 0.28 -2.27 0.00 0.00 179.45 178.50 1xwt h VAL 33 N 0.77 1.06 -0.47 2.00 2.07 -1.04 -1.41 116.25 119.23 1xwt h VAL 33 Ca 0.14 -0.17 -0.06 0.00 0.82 0.00 0.00 66.70 67.43 1xwt h VAL 33 Cb 0.57 0.53 -0.02 0.00 -1.52 0.00 0.00 31.29 30.84 1xwt h VAL 33 CO 0.03 0.09 0.05 0.78 0.02 0.00 0.00 177.57 178.54 1xwt h ASN 34 N 0.49 0.78 -0.22 0.57 2.35 -0.86 -2.31 115.58 116.38 1xwt h ASN 34 Ca 0.15 -0.28 -0.07 0.00 -0.55 0.00 0.00 56.30 55.55 1xwt h ASN 34 Cb -0.01 -0.21 -0.02 0.00 0.05 0.00 0.00 38.32 38.13 1xwt h ASN 34 CO -0.06 0.87 -0.08 0.28 -1.65 0.00 0.00 177.43 176.78 1xwt h SER 35 N 0.67 0.57 0.01 5.81 0.02 -0.98 -0.56 113.55 119.09 1xwt h SER 35 Ca 0.14 -0.14 -0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1xwt h SER 35 Cb 0.44 -0.15 0.00 0.00 0.14 0.00 0.00 62.40 62.83 1xwt h SER 35 CO 0.02 0.70 -0.01 0.74 -1.14 0.00 0.00 176.83 177.14 1xwt h THR 36 N 0.55 1.01 -0.09 -2.27 2.02 -0.92 -0.34 112.91 112.86 1xwt h THR 36 Ca 0.10 -0.06 0.00 0.00 0.77 0.00 0.00 66.41 67.23 1xwt h THR 36 Cb 0.48 1.05 -0.01 0.00 -1.74 0.00 0.00 68.15 67.93 1xwt h THR 36 CO 0.03 0.02 0.06 0.15 0.37 0.00 0.00 175.52 176.14 1xwt h PHE 37 N -0.04 0.11 -0.79 3.16 3.04 -1.23 -1.68 116.94 119.50 1xwt h PHE 37 Ca -0.00 0.00 -0.00 0.00 3.98 0.00 0.00 57.97 61.95 1xwt h PHE 37 Cb 0.04 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.47 1xwt h PHE 37 CO -0.07 0.07 0.48 -0.44 -2.02 0.00 0.00 178.31 176.33 1xwt h ASP 38 N 0.12 0.94 -0.11 0.41 3.32 -0.89 0.42 116.42 120.63 1xwt h ASP 38 Ca 0.03 -0.05 -0.21 0.00 0.02 0.00 0.00 57.03 56.82 1xwt h ASP 38 Cb -0.01 -0.24 0.01 0.00 0.22 0.00 0.00 39.33 39.31 1xwt h ASP 38 CO -0.01 0.72 -0.73 0.78 -1.72 0.00 0.00 179.24 178.28 1xwt h ASN 39 N 1.09 0.87 -0.19 6.45 2.35 -1.00 -0.69 115.58 124.46 1xwt h ASN 39 Ca 0.29 -0.55 -0.08 0.00 -0.55 0.00 0.00 56.30 55.40 1xwt h ASN 39 Cb -0.05 -0.26 -0.02 0.00 0.05 0.00 0.00 38.32 38.04 1xwt h ASN 39 CO -0.05 1.34 -0.15 -0.03 -1.65 0.00 0.00 177.43 176.89 1xwt h MET 40 N 0.52 0.60 -0.44 0.81 4.05 -0.78 -3.07 114.93 116.61 1xwt h MET 40 Ca -0.04 -0.19 0.00 0.00 -0.28 0.00 0.00 59.70 59.19 1xwt h MET 40 Cb 1.34 -0.05 0.00 0.00 -0.80 0.00 0.00 31.60 32.09 1xwt h MET 40 CO 0.15 0.72 0.00 1.19 0.23 0.00 0.00 176.91 179.20 1xwt n PHE 41 N -4.17 1.56 -4.25 1.39 3.01 0.09 -1.05 117.46 114.04 1xwt n PHE 41 Ca 0.01 -0.78 -0.24 0.00 1.01 0.00 0.00 57.45 57.44 1xwt n PHE 41 Cb 0.36 -0.41 -0.07 0.00 -0.01 0.00 0.00 39.48 39.34 1xwt n PHE 41 CO 0.00 0.00 0.00 0.20 1.01 0.00 0.00 176.76 177.97 1xwt s GLY 42 N -1.28 1.66 -1.33 1.37 0.00 -0.27 -4.94 107.32 102.53 1xwt s GLY 42 Ca 0.49 -1.52 -0.09 0.00 0.00 0.00 0.00 44.72 43.60 1xwt s GLY 42 CO 0.13 -1.56 2.10 -1.72 0.00 0.00 0.00 173.10 172.06 1xwt n TYR 43 N -0.56 2.87 0.28 1.90 4.01 -1.26 -4.49 117.16 119.91 1xwt n TYR 43 Ca -0.08 -2.83 0.03 0.00 -0.16 0.00 0.00 57.90 54.86 1xwt n TYR 43 Cb 0.57 -2.01 -0.02 0.00 -0.31 0.00 0.00 39.34 37.57 1xwt n TYR 43 CO 0.00 0.00 0.00 0.27 -0.46 0.00 0.00 176.86 176.67 1xwt n ASN 44 N 3.52 0.46 -2.61 7.72 0.23 -1.26 -5.00 115.26 118.32 1xwt n ASN 44 Ca 0.49 -0.73 -0.09 0.00 -0.53 0.00 0.00 54.58 53.72 1xwt n ASN 44 Cb 0.33 0.85 -0.01 0.00 -2.08 0.00 0.00 39.78 38.88 1xwt n ASN 44 CO 0.00 0.00 0.00 -0.46 -0.93 0.00 0.00 177.26 175.87 1xwt n ASN 45 N -0.92 -2.52 0.00 0.53 6.94 -1.26 -4.78 115.26 113.25 1xwt n ASN 45 Ca 0.02 0.24 0.00 0.00 -0.02 0.00 0.00 54.58 54.81 1xwt n ASN 45 Cb 0.10 -2.20 0.00 0.00 -2.36 0.00 0.00 39.78 35.32 1xwt n ASN 45 CO 0.00 0.00 0.00 0.41 -1.03 0.00 0.00 177.26 176.64 1xwt n THR 46 N -3.06 0.00 0.30 5.53 -1.04 -1.26 -4.81 114.28 109.93 1xwt n THR 46 Ca -0.06 0.00 0.12 0.00 -2.04 0.00 0.00 64.05 62.07 1xwt n THR 46 Cb 0.55 -0.63 0.13 0.00 -1.82 0.00 0.00 70.33 68.56 1xwt n THR 46 CO 0.00 0.00 0.00 1.56 -0.64 0.00 0.00 175.07 175.99 1xwt h GLN 47 N 0.00 0.00 -6.26 -2.82 7.50 -1.79 -3.33 115.11 108.41 1xwt h GLN 47 Ca 0.00 0.00 -0.68 0.00 0.50 0.00 0.00 58.65 58.47 1xwt h GLN 47 Cb 0.00 0.00 0.05 0.00 0.05 0.00 0.00 27.48 27.58 1xwt h GLN 47 CO 0.00 0.00 0.48 0.94 -1.50 0.00 0.00 178.83 178.75 1xwt n GLN 48 N -2.63 1.14 -0.00 1.46 7.27 -1.17 -4.50 117.38 118.95 1xwt n GLN 48 Ca 0.02 0.41 0.00 0.00 0.07 0.00 0.00 57.00 57.51 1xwt n GLN 48 Cb 0.51 -2.06 -0.00 0.00 2.41 0.00 0.00 30.24 31.10 1xwt n GLN 48 CO 0.00 0.00 0.00 1.28 0.07 0.00 0.00 177.06 178.41 1xwt n LEU 49 N 2.67 0.01 -4.55 1.69 4.77 -0.21 -4.88 117.00 116.51 1xwt n LEU 49 Ca 0.19 -0.24 -0.40 0.00 -0.03 0.00 0.00 56.01 55.53 1xwt n LEU 49 Cb 0.19 0.00 -0.10 0.00 -2.33 0.00 0.00 43.42 41.18 1xwt n LEU 49 CO 0.63 0.00 -0.05 -0.47 -1.33 0.00 0.00 177.39 176.17 1xwt s TYR 50 N -1.58 3.22 0.01 -1.77 6.14 -1.09 -1.05 117.35 121.23 1xwt s TYR 50 Ca -0.00 -0.04 0.05 0.00 0.64 0.00 0.00 57.07 57.71 1xwt s TYR 50 Cb 0.00 -2.55 -0.02 0.00 0.42 0.00 0.00 41.96 39.82 1xwt s TYR 50 CO 0.03 -0.35 -0.15 0.71 0.64 0.00 0.00 175.55 176.43 1xwt s TYR 51 N 1.87 1.29 0.44 4.97 1.51 -0.20 -4.79 117.35 122.45 1xwt s TYR 51 Ca 0.09 -0.28 -0.22 0.00 -1.01 0.00 0.00 57.07 55.64 1xwt s TYR 51 Cb -0.17 -0.81 -0.09 0.00 -0.11 0.00 0.00 41.96 40.79 1xwt s TYR 51 CO 0.11 0.00 1.04 -1.25 -1.11 0.00 0.00 175.55 174.35 1xwt s PRO 52 N -0.65 4.00 -0.18 -1.71 0.04 -1.26 -1.18 135.00 134.06 1xwt s PRO 52 Ca 0.04 1.44 -0.01 0.00 0.04 0.00 0.00 61.00 62.51 1xwt s PRO 52 Cb -0.06 -2.34 -0.00 0.00 0.04 0.00 0.00 34.50 32.13 1xwt s PRO 52 CO 0.00 -0.27 -0.11 -0.47 0.04 0.00 0.00 177.00 176.19 1xwt s TYR 53 N -1.80 2.86 0.17 0.56 5.04 0.54 -4.89 117.35 119.82 1xwt s TYR 53 Ca 0.62 -1.06 0.10 0.00 -2.44 0.00 0.00 57.07 54.29 1xwt s TYR 53 Cb -0.19 -1.98 -0.04 0.00 0.35 0.00 0.00 41.96 40.10 1xwt s TYR 53 CO 0.24 -0.53 -0.22 0.95 -1.34 0.00 0.00 175.55 174.65 1xwt s THR 54 N 1.12 2.08 -0.14 4.34 -4.23 -1.26 -1.39 115.64 116.15 1xwt s THR 54 Ca 0.01 -1.90 -0.00 0.00 -1.18 0.00 0.00 61.69 58.61 1xwt s THR 54 Cb -0.14 -1.94 0.03 0.00 1.34 0.00 0.00 72.50 71.79 1xwt s THR 54 CO -0.03 -0.16 -0.06 -1.61 -0.54 0.00 0.00 174.62 172.22 1xwt s GLU 55 N -2.56 1.47 -1.59 3.99 2.02 -0.28 -4.79 118.70 116.97 1xwt s GLU 55 Ca 0.16 -0.41 -0.15 0.00 0.02 0.00 0.00 54.97 54.60 1xwt s GLU 55 Cb -0.08 -1.83 0.11 0.00 0.10 0.00 0.00 34.13 32.43 1xwt s GLU 55 CO 0.08 -0.37 0.92 0.09 0.02 0.00 0.00 175.26 176.00 1xwt n ASN 56 N 4.90 -4.30 0.00 -0.19 3.02 -1.26 -1.14 115.26 116.30 1xwt n ASN 56 Ca -0.12 -0.85 0.00 0.00 -0.03 0.00 0.00 54.58 53.57 1xwt n ASN 56 Cb 0.49 -3.53 0.00 0.00 -0.61 0.00 0.00 39.78 36.13 1xwt n ASN 56 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwt n GLY 57 N -1.60 1.00 3.63 7.41 0.00 -1.26 -5.02 105.19 109.35 1xwt n GLY 57 Ca 0.05 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.69 1xwt n GLY 57 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1xwt s VAL 58 N -3.77 5.28 0.25 1.61 1.01 -0.29 -5.06 120.40 119.43 1xwt s VAL 58 Ca 0.00 0.35 -0.31 0.00 0.00 0.00 0.00 61.98 62.02 1xwt s VAL 58 Cb 0.00 -3.59 -0.11 0.00 0.00 0.00 0.00 36.38 32.68 1xwt s VAL 58 CO 0.00 0.26 1.57 -0.47 0.00 0.00 0.00 175.10 176.46 1xwt s TYR 59 N 1.55 2.89 0.01 5.22 5.04 -1.26 -1.12 117.35 129.68 1xwt s TYR 59 Ca 0.11 0.75 -0.04 0.00 -2.44 0.00 0.00 57.07 55.45 1xwt s TYR 59 Cb -0.15 -3.99 -0.01 0.00 0.35 0.00 0.00 41.96 38.15 1xwt s TYR 59 CO 0.08 -3.45 -0.08 1.63 -1.34 0.00 0.00 175.55 172.40 1xwt n LYS 60 N 2.80 0.12 -2.36 4.97 4.76 -0.48 -4.92 118.16 123.05 1xwt n LYS 60 Ca 0.10 0.05 -0.02 0.00 -2.87 0.00 0.00 58.31 55.56 1xwt n LYS 60 Cb 0.38 -0.62 0.01 0.00 -1.84 0.00 0.00 35.03 32.96 1xwt n LYS 60 CO 0.00 0.00 0.00 0.00 -1.37 0.00 0.00 177.40 176.03 1xwt n ALA 61 N -3.48 -0.99 -2.45 7.82 0.00 -1.15 -4.91 120.51 115.36 1xwt n ALA 61 Ca -0.03 -0.48 -0.23 0.00 0.00 0.00 0.00 53.44 52.70 1xwt n ALA 61 Cb 0.12 0.32 -0.11 0.00 0.00 0.00 0.00 19.45 19.78 1xwt n ALA 61 CO 0.00 0.00 0.00 -1.01 0.00 0.00 0.00 177.50 176.49 1xwt s HIS 62 N -5.05 1.91 0.09 0.00 3.76 -0.77 -0.34 115.29 114.89 1xwt s HIS 62 Ca 0.09 -0.45 0.01 0.00 -0.15 0.00 0.00 55.06 54.56 1xwt s HIS 62 Cb -0.02 -0.94 -0.04 0.00 1.11 0.00 0.00 32.58 32.69 1xwt s HIS 62 CO 0.03 0.37 -0.06 1.52 -0.85 0.00 0.00 174.74 175.76 1xwt s TYR 63 N -2.04 0.81 -0.28 1.40 1.13 -0.32 -4.08 117.35 113.96 1xwt s TYR 63 Ca 0.17 -0.91 -0.23 0.00 -1.41 0.00 0.00 57.07 54.69 1xwt s TYR 63 Cb -0.06 -0.48 -0.01 0.00 -1.10 0.00 0.00 41.96 40.31 1xwt s TYR 63 CO 0.07 -0.19 0.76 0.42 -2.51 0.00 0.00 175.55 174.11 1xwt s ILE 64 N -3.51 4.85 -0.29 -3.49 -1.09 -1.26 -1.03 121.20 115.38 1xwt s ILE 64 Ca 0.09 1.26 -0.24 0.00 -2.23 0.00 0.00 60.65 59.54 1xwt s ILE 64 Cb 0.05 -4.09 -0.00 0.00 -1.58 0.00 0.00 42.46 36.84 1xwt s ILE 64 CO -0.05 -0.14 0.79 -0.75 -1.23 0.00 0.00 174.94 173.56 1xwt s LYS 65 N 2.82 4.03 -1.25 2.79 2.20 -0.21 -4.37 119.74 125.75 1xwt s LYS 65 Ca 0.31 0.69 -0.16 0.00 -0.36 0.00 0.00 55.97 56.45 1xwt s LYS 65 Cb -0.15 -3.70 0.12 0.00 -1.51 0.00 0.00 37.83 32.59 1xwt s LYS 65 CO 0.10 -0.62 1.59 0.00 -0.36 0.00 0.00 175.35 176.06 1xwt s ALA 66 N 2.91 3.65 0.26 3.13 0.00 0.30 -4.75 121.76 127.26 1xwt s ALA 66 Ca 0.33 -3.13 -0.31 0.00 0.00 0.00 0.00 51.96 48.85 1xwt s ALA 66 Cb -0.14 -4.39 -0.13 0.00 0.00 0.00 0.00 23.12 18.46 1xwt s ALA 66 CO 0.11 -3.05 1.50 -0.89 0.00 0.00 0.00 175.76 173.44 1xwt n ILE 67 N 5.53 0.93 -3.27 0.00 5.41 -1.26 -1.75 119.36 124.95 1xwt n ILE 67 Ca 0.43 -0.23 -0.06 0.00 1.00 0.00 0.00 62.75 63.89 1xwt n ILE 67 Cb 0.44 -1.70 -0.05 0.00 -0.71 0.00 0.00 39.64 37.63 1xwt n ILE 67 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 176.55 176.76 1xwt s ASN 68 N 0.42 -0.10 0.45 4.38 3.84 -1.26 -4.71 114.94 117.96 1xwt s ASN 68 Ca 0.67 -0.21 0.25 0.00 0.21 0.00 0.00 52.86 53.78 1xwt s ASN 68 Cb -0.58 1.33 0.90 0.00 -0.55 0.00 0.00 41.25 42.36 1xwt s ASN 68 CO 0.48 -0.34 1.81 1.55 -2.79 0.00 0.00 177.10 177.82 1xwt h PRO 69 N 8.12 0.00 0.18 0.43 0.13 -1.89 -1.45 132.00 137.52 1xwt h PRO 69 Ca -0.08 0.00 -0.33 0.00 -0.87 0.00 0.00 66.00 64.72 1xwt h PRO 69 Cb 1.14 0.00 0.01 0.00 0.13 0.00 0.00 31.00 32.28 1xwt h PRO 69 CO 0.24 0.17 -1.62 -0.44 -0.23 0.00 0.00 178.00 176.12 1xwt h ASP 70 N 0.00 0.60 0.00 1.44 3.32 -1.97 -3.41 116.42 116.41 1xwt h ASP 70 Ca -0.00 -0.81 0.00 0.00 0.02 0.00 0.00 57.03 56.24 1xwt h ASP 70 Cb 0.77 -0.20 0.00 0.00 0.22 0.00 0.00 39.33 40.12 1xwt h ASP 70 CO 0.02 1.67 0.00 -0.62 -1.72 0.00 0.00 179.24 178.59 1xwt n GLU 71 N -3.58 0.34 0.00 3.56 4.71 -1.24 -5.11 120.64 119.32 1xwt n GLU 71 Ca -0.20 -0.70 0.00 0.00 -0.01 0.00 0.00 57.16 56.25 1xwt n GLU 71 Cb 1.07 -0.88 0.00 0.00 -1.01 0.00 0.00 31.44 30.62 1xwt n GLU 71 CO 0.00 0.00 0.00 0.41 0.09 0.00 0.00 177.13 177.63 1xwt n GLY 72 N -0.14 0.34 3.76 0.62 0.00 -0.55 -4.99 105.19 104.23 1xwt n GLY 72 Ca 0.00 -1.46 -0.41 0.00 0.00 0.00 0.00 46.02 44.14 1xwt n GLY 72 CO 0.00 0.00 0.00 1.22 0.00 0.00 0.00 173.32 174.54 1xwt n ASP 73 N -0.40 3.59 -2.02 1.61 8.00 -1.21 -4.47 116.55 121.66 1xwt n ASP 73 Ca 0.00 1.21 -0.08 0.00 0.71 0.00 0.00 54.79 56.63 1xwt n ASP 73 Cb 0.00 -1.60 -0.03 0.00 -0.02 0.00 0.00 41.12 39.47 1xwt n ASP 73 CO 0.00 0.00 0.00 -0.90 -0.39 0.00 0.00 177.20 175.91 1xwt n ASP 74 N 0.40 0.00 -3.83 -2.24 5.68 -0.72 -4.73 116.55 111.11 1xwt n ASP 74 Ca 0.02 -1.89 -0.20 0.00 -0.50 0.00 0.00 54.79 52.22 1xwt n ASP 74 Cb 0.39 0.62 -0.17 0.00 -1.14 0.00 0.00 41.12 40.83 1xwt n ASP 74 CO 0.00 0.00 0.00 -0.63 -1.33 0.00 0.00 177.20 175.24 1xwt s ILE 75 N -2.47 0.40 0.11 2.12 1.01 -0.16 -0.54 121.20 121.67 1xwt s ILE 75 Ca 0.15 0.01 0.09 0.00 0.00 0.00 0.00 60.65 60.90 1xwt s ILE 75 Cb 0.01 -0.49 -0.04 0.00 0.01 0.00 0.00 42.46 41.95 1xwt s ILE 75 CO 0.10 0.22 -0.23 -0.13 0.00 0.00 0.00 174.94 174.90 1xwt s ARG 76 N 1.32 1.25 0.29 2.79 0.52 -1.26 -1.05 118.95 122.82 1xwt s ARG 76 Ca -0.05 -1.23 0.05 0.00 -0.52 0.00 0.00 55.73 53.98 1xwt s ARG 76 Cb -0.13 -1.60 0.43 0.00 0.52 0.00 0.00 34.95 34.17 1xwt s ARG 76 CO -0.02 0.38 1.71 1.79 0.02 0.00 0.00 175.30 179.17 1xwt h THR 77 N 4.01 1.29 0.43 0.02 1.35 -1.77 -2.34 112.91 115.90 1xwt h THR 77 Ca -0.48 -1.41 -0.02 0.00 -0.55 0.00 0.00 66.41 63.95 1xwt h THR 77 Cb 1.17 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 69.15 1xwt h THR 77 CO 0.40 0.43 -0.20 -0.33 -0.25 0.00 0.00 175.52 175.56 1xwt h GLU 78 N 0.30 -0.55 -0.84 4.72 5.08 -1.87 -0.94 114.58 120.47 1xwt h GLU 78 Ca 0.03 0.04 0.03 0.00 -1.00 0.00 0.00 59.36 58.47 1xwt h GLU 78 Cb 0.76 0.13 -0.05 0.00 0.50 0.00 0.00 28.75 30.08 1xwt h GLU 78 CO 0.06 -0.34 0.54 0.78 -1.00 0.00 0.00 179.01 179.06 1xwt h GLY 79 N -0.63 1.22 0.96 -3.84 0.00 -1.93 -0.60 103.07 98.26 1xwt h GLY 79 Ca -0.06 -0.41 0.01 0.00 0.00 0.00 0.00 47.33 46.87 1xwt h GLY 79 CO 0.10 0.35 0.07 -1.61 0.00 0.00 0.00 176.54 175.45 1xwt h GLN 80 N 1.05 0.15 -0.31 4.80 5.75 -1.31 -0.90 115.11 124.34 1xwt h GLN 80 Ca 0.34 -0.01 -0.14 0.00 -0.15 0.00 0.00 58.65 58.68 1xwt h GLN 80 Cb 0.01 -0.03 -0.01 0.00 1.07 0.00 0.00 27.48 28.51 1xwt h GLN 80 CO -0.11 0.10 -0.39 0.66 -2.65 0.00 0.00 178.83 176.44 1xwt h SER 81 N 0.15 0.79 -0.68 -0.69 4.64 -0.78 -1.66 113.55 115.32 1xwt h SER 81 Ca 0.05 -0.35 -0.07 0.00 -0.47 0.00 0.00 61.79 60.95 1xwt h SER 81 Cb 0.00 -0.22 -0.03 0.00 -0.31 0.00 0.00 62.40 61.84 1xwt h SER 81 CO -0.03 1.08 0.16 -0.50 -0.87 0.00 0.00 176.83 176.68 1xwt h TRP 82 N 0.61 1.15 -0.61 4.77 6.55 -1.06 -1.53 115.95 125.82 1xwt h TRP 82 Ca 0.05 -0.14 -0.00 0.00 0.95 0.00 0.00 58.89 59.75 1xwt h TRP 82 Cb 0.93 -0.32 -0.03 0.00 -0.86 0.00 0.00 29.16 28.88 1xwt h TRP 82 CO 0.05 0.94 0.37 0.78 -1.05 0.00 0.00 178.44 179.53 1xwt h GLY 83 N 1.02 0.88 1.16 1.49 0.00 -0.91 -1.00 103.07 105.71 1xwt h GLY 83 Ca 0.21 -0.37 -0.05 0.00 0.00 0.00 0.00 47.33 47.13 1xwt h GLY 83 CO 0.00 0.35 0.22 -0.33 0.00 0.00 0.00 176.54 176.79 1xwt h MET 84 N 0.83 1.06 -0.50 4.80 2.86 -1.18 -1.59 114.93 121.21 1xwt h MET 84 Ca 0.22 -0.21 -0.03 0.00 -2.06 0.00 0.00 59.70 57.62 1xwt h MET 84 Cb -0.03 -0.16 -0.02 0.00 0.06 0.00 0.00 31.60 31.45 1xwt h MET 84 CO -0.04 0.90 0.21 1.15 1.06 0.00 0.00 176.91 180.19 1xwt h THR 85 N 1.02 1.21 -0.37 2.22 2.02 -0.86 -1.42 112.91 116.73 1xwt h THR 85 Ca 0.23 -0.62 -0.00 0.00 0.77 0.00 0.00 66.41 66.78 1xwt h THR 85 Cb 0.27 0.68 -0.02 0.00 -1.74 0.00 0.00 68.15 67.35 1xwt h THR 85 CO -0.01 0.24 0.22 0.00 0.37 0.00 0.00 175.52 176.34 1xwt h ALA 86 N 1.06 0.47 -0.44 6.16 0.00 -0.98 -2.54 119.26 122.99 1xwt h ALA 86 Ca 0.17 -0.05 0.00 0.00 0.00 0.00 0.00 54.91 55.03 1xwt h ALA 86 Cb 0.17 -0.15 -0.02 0.00 0.00 0.00 0.00 17.79 17.79 1xwt h ALA 86 CO -0.02 -0.04 0.29 0.00 0.00 0.00 0.00 179.25 179.49 1xwt h ALA 87 N 1.10 0.56 -0.27 0.00 0.00 -1.03 -2.67 119.26 116.95 1xwt h ALA 87 Ca 0.13 -0.04 -0.09 0.00 0.00 0.00 0.00 54.91 54.91 1xwt h ALA 87 Cb 0.00 -0.18 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xwt h ALA 87 CO -0.03 0.02 -0.23 -0.24 0.00 0.00 0.00 179.25 178.77 1xwt h VAL 88 N 0.60 1.26 -0.09 0.00 3.04 -1.14 -0.22 116.25 119.70 1xwt h VAL 88 Ca 0.16 -1.24 -0.04 0.00 -1.01 0.00 0.00 66.70 64.57 1xwt h VAL 88 Cb -0.06 1.31 -0.01 0.00 -2.01 0.00 0.00 31.29 30.52 1xwt h VAL 88 CO -0.03 0.40 -0.14 0.24 -1.01 0.00 0.00 177.57 177.02 1xwt h MET 89 N 0.45 0.14 -0.73 4.17 2.86 -1.20 -2.74 114.93 117.88 1xwt h MET 89 Ca 0.07 -0.03 0.00 0.00 -2.06 0.00 0.00 59.70 57.68 1xwt h MET 89 Cb 0.65 -0.02 0.00 0.00 0.06 0.00 0.00 31.60 32.29 1xwt h MET 89 CO 0.05 0.29 0.00 1.28 1.06 0.00 0.00 176.91 179.59 1xwt n LEU 90 N -4.30 3.96 -2.89 1.22 4.77 -1.01 -4.96 117.00 113.79 1xwt n LEU 90 Ca -0.01 -1.99 -0.17 0.00 -0.03 0.00 0.00 56.01 53.81 1xwt n LEU 90 Cb 0.25 -0.49 0.06 0.00 -2.33 0.00 0.00 43.42 40.92 1xwt n LEU 90 CO 0.37 0.99 0.17 -3.20 -1.33 0.00 0.00 177.39 174.38 1xwt n ASN 91 N 1.65 -4.53 -4.19 -1.43 5.15 -0.77 -4.96 115.26 106.18 1xwt n ASN 91 Ca 0.24 -0.43 -0.40 0.00 -0.60 0.00 0.00 54.58 53.39 1xwt n ASN 91 Cb 0.62 -4.03 -0.04 0.00 -0.53 0.00 0.00 39.78 35.80 1xwt n ASN 91 CO 0.00 0.00 0.00 -0.54 1.40 0.00 0.00 177.26 178.12 1xwt s LYS 92 N -5.77 3.54 0.05 1.20 -0.14 -0.17 -4.94 119.74 113.52 1xwt s LYS 92 Ca 0.34 -3.16 -0.17 0.00 -1.36 0.00 0.00 55.97 51.61 1xwt s LYS 92 Cb -0.15 -4.16 -0.20 0.00 -1.68 0.00 0.00 37.83 31.64 1xwt s LYS 92 CO 0.56 -1.25 1.20 0.37 -0.76 0.00 0.00 175.35 175.48 1xwt h GLN 93 N 6.40 0.56 -0.40 1.68 4.15 -1.93 -2.21 115.11 123.35 1xwt h GLN 93 Ca 0.15 -0.50 0.00 0.00 0.77 0.00 0.00 58.65 59.07 1xwt h GLN 93 Cb 0.86 0.12 -0.02 0.00 0.21 0.00 0.00 27.48 28.64 1xwt h GLN 93 CO 0.89 1.13 0.26 0.93 -1.93 0.00 0.00 178.83 180.11 1xwt h GLU 94 N 0.16 0.53 -0.24 1.69 4.39 -1.99 0.09 114.58 119.21 1xwt h GLU 94 Ca -0.06 -0.03 0.03 0.00 0.34 0.00 0.00 59.36 59.64 1xwt h GLU 94 Cb 1.29 -0.12 -0.03 0.00 -0.10 0.00 0.00 28.75 29.79 1xwt h GLU 94 CO 0.13 0.35 0.07 0.93 -1.16 0.00 0.00 179.01 179.32 1xwt h GLU 95 N 0.54 0.16 -0.04 2.33 3.07 -1.98 0.09 114.58 118.75 1xwt h GLU 95 Ca 0.15 -0.01 0.03 0.00 -0.50 0.00 0.00 59.36 59.03 1xwt h GLU 95 Cb -0.06 -0.04 -0.04 0.00 -0.84 0.00 0.00 28.75 27.77 1xwt h GLU 95 CO -0.03 0.11 -0.20 0.35 -1.40 0.00 0.00 179.01 177.84 1xwt h PHE 96 N 0.17 -0.52 -0.74 4.33 3.04 -1.09 -2.17 116.94 119.96 1xwt h PHE 96 Ca 0.11 0.02 -0.06 0.00 3.98 0.00 0.00 57.97 62.02 1xwt h PHE 96 Cb 0.09 0.24 -0.03 0.00 2.56 0.00 0.00 35.95 38.80 1xwt h PHE 96 CO -0.14 -0.28 0.24 -0.44 -2.02 0.00 0.00 178.31 175.68 1xwt h ASP 97 N -0.29 1.07 -0.59 0.41 3.32 -0.71 -0.09 116.42 119.53 1xwt h ASP 97 Ca 0.07 -0.19 -0.07 0.00 0.02 0.00 0.00 57.03 56.86 1xwt h ASP 97 Cb 0.39 -0.28 -0.03 0.00 0.22 0.00 0.00 39.33 39.64 1xwt h ASP 97 CO -0.21 0.98 0.10 0.78 -1.72 0.00 0.00 179.24 179.17 1xwt h ASN 98 N 1.10 0.96 -0.28 6.45 2.35 -0.87 -0.02 115.58 125.27 1xwt h ASN 98 Ca 0.24 -0.21 -0.12 0.00 -0.55 0.00 0.00 56.30 55.66 1xwt h ASN 98 Cb 0.29 -0.25 -0.00 0.00 0.05 0.00 0.00 38.32 38.40 1xwt h ASN 98 CO -0.01 0.95 -0.29 -0.07 -1.65 0.00 0.00 177.43 176.36 1xwt h LEU 99 N 0.95 0.74 -0.68 1.61 3.38 -1.03 -2.01 115.31 118.26 1xwt h LEU 99 Ca 0.19 -0.48 -0.12 0.00 0.09 0.00 0.00 57.88 57.57 1xwt h LEU 99 Cb 0.40 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xwt h LEU 99 CO 0.01 1.06 -0.25 -0.25 0.09 0.00 0.00 178.44 179.10 1xwt h TRP 100 N 0.42 0.85 -0.69 1.13 -0.00 -0.86 -1.82 115.95 114.98 1xwt h TRP 100 Ca 0.04 -0.20 0.05 0.00 -0.00 0.00 0.00 58.89 58.78 1xwt h TRP 100 Cb 0.86 -0.20 -0.05 0.00 -0.00 0.00 0.00 29.16 29.77 1xwt h TRP 100 CO 0.07 0.92 0.41 -0.09 -0.00 0.00 0.00 178.44 179.75 1xwt h ARG 101 N 0.65 0.74 -0.32 2.65 2.43 -1.05 -0.96 114.38 118.52 1xwt h ARG 101 Ca 0.08 -0.04 -0.02 0.00 -0.81 0.00 0.00 59.98 59.19 1xwt h ARG 101 Cb 0.76 -0.17 -0.01 0.00 -0.42 0.00 0.00 29.97 30.13 1xwt h ARG 101 CO 0.06 0.49 0.13 0.35 -1.51 0.00 0.00 179.97 179.49 1xwt h PHE 102 N 0.76 0.48 0.02 2.20 3.04 -1.32 -2.05 116.94 120.08 1xwt h PHE 102 Ca 0.30 -0.04 -0.00 0.00 3.98 0.00 0.00 57.97 62.21 1xwt h PHE 102 Cb 0.13 -0.15 0.00 0.00 2.56 0.00 0.00 35.95 38.49 1xwt h PHE 102 CO -0.06 0.46 -0.01 0.00 -2.02 0.00 0.00 178.31 176.68 1xwt h ALA 103 N 0.97 -0.03 -0.47 2.41 0.00 -0.82 0.07 119.26 121.39 1xwt h ALA 103 Ca 0.11 -0.05 -0.08 0.00 0.00 0.00 0.00 54.91 54.89 1xwt h ALA 103 Cb 0.18 0.01 -0.02 0.00 0.00 0.00 0.00 17.79 17.97 1xwt h ALA 103 CO -0.01 -0.48 -0.05 -0.22 0.00 0.00 0.00 179.25 178.50 1xwt h LYS 104 N -0.11 0.80 -0.03 0.00 3.64 -1.19 -1.14 116.57 118.54 1xwt h LYS 104 Ca -0.00 -0.24 -0.15 0.00 -1.27 0.00 0.00 60.65 58.99 1xwt h LYS 104 Cb 0.10 -0.08 0.01 0.00 -0.41 0.00 0.00 32.23 31.85 1xwt h LYS 104 CO 0.00 0.84 -0.56 0.00 -2.27 0.00 0.00 179.45 177.46 1xwt h ALA 105 N 1.20 0.10 0.00 5.00 0.00 -1.23 -3.38 119.26 120.96 1xwt h ALA 105 Ca 0.13 -0.55 -0.11 0.00 0.00 0.00 0.00 54.91 54.39 1xwt h ALA 105 Cb 0.52 0.02 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xwt h ALA 105 CO 0.03 0.35 -1.40 0.66 0.00 0.00 0.00 179.25 178.89 1xwt n TYR 106 N -4.24 0.00 0.06 0.00 4.01 -0.00 -4.70 117.16 112.29 1xwt n TYR 106 Ca -0.10 0.00 -0.16 0.00 -0.16 0.00 0.00 57.90 57.48 1xwt n TYR 106 Cb 0.65 -0.28 -0.14 0.00 -0.31 0.00 0.00 39.34 39.25 1xwt n TYR 106 CO 0.00 0.00 0.00 1.96 -0.46 0.00 0.00 176.86 178.36 1xwt h GLN 107 N 0.00 0.22 -6.54 -0.72 4.20 -1.28 -3.47 115.11 107.52 1xwt h GLN 107 Ca -0.16 -0.37 -0.53 0.00 0.06 0.00 0.00 58.65 57.65 1xwt h GLN 107 Cb 1.33 0.14 0.03 0.00 0.30 0.00 0.00 27.48 29.28 1xwt h GLN 107 CO 0.00 1.07 0.92 0.21 -0.67 0.00 0.00 178.83 180.36 1xwt s LYS 108 N -2.62 4.21 0.30 1.46 2.20 -0.69 -0.79 119.74 123.81 1xwt s LYS 108 Ca -0.09 2.33 -0.28 0.00 -0.36 0.00 0.00 55.97 57.58 1xwt s LYS 108 Cb 0.07 -3.33 -0.09 0.00 -1.51 0.00 0.00 37.83 32.97 1xwt s LYS 108 CO 0.85 -0.65 1.03 -0.80 -0.36 0.00 0.00 175.35 175.42 1xwt s ASN 109 N 1.62 7.27 0.61 1.43 0.01 0.33 -4.90 114.94 121.31 1xwt s ASN 109 Ca 0.71 2.08 -0.19 0.00 -0.71 0.00 0.00 52.86 54.75 1xwt s ASN 109 Cb -0.42 -2.61 -0.03 0.00 0.41 0.00 0.00 41.25 38.60 1xwt s ASN 109 CO 0.32 -0.13 1.25 -0.81 -1.51 0.00 0.00 177.10 176.22 1xwt n PRO 110 N 0.92 1.25 0.24 -0.60 -0.04 -1.26 -2.00 135.00 133.51 1xwt n PRO 110 Ca 0.00 0.48 0.17 0.00 -0.04 0.00 0.00 63.50 64.10 1xwt n PRO 110 Cb 0.47 -2.47 0.74 0.00 -0.04 0.00 0.00 33.50 32.20 1xwt n PRO 110 CO 0.00 0.00 0.00 -0.44 -0.04 0.00 0.00 175.50 175.02 1xwt h ASP 111 N 0.80 0.00 -0.42 3.54 3.32 -1.92 -2.12 116.42 119.62 1xwt h ASP 111 Ca -0.50 0.00 -0.14 0.00 0.02 0.00 0.00 57.03 56.40 1xwt h ASP 111 Cb 1.33 0.00 -0.09 0.00 0.22 0.00 0.00 39.33 40.80 1xwt h ASP 111 CO 0.54 0.00 0.05 -0.46 -1.72 0.00 0.00 179.24 177.65 1xwt n ASN 112 N -2.79 3.39 -4.59 6.45 6.94 -1.26 -4.72 115.26 118.68 1xwt n ASN 112 Ca -0.00 -3.41 -0.44 0.00 -0.02 0.00 0.00 54.58 50.71 1xwt n ASN 112 Cb 0.21 -0.63 -0.01 0.00 -2.36 0.00 0.00 39.78 36.98 1xwt n ASN 112 CO 0.00 0.00 0.00 1.57 -1.03 0.00 0.00 177.26 177.80 1xwt n HIS 113 N -0.78 1.24 0.29 -2.53 -0.00 -0.80 -4.85 115.22 107.78 1xwt n HIS 113 Ca 0.32 0.68 0.13 0.00 0.46 0.00 0.00 57.72 59.31 1xwt n HIS 113 Cb 1.08 -2.25 0.84 0.00 -0.12 0.00 0.00 29.99 29.54 1xwt n HIS 113 CO 0.00 0.00 0.00 -1.00 0.46 0.00 0.00 176.34 175.80 1xwt h PRO 114 N 1.92 0.00 -5.29 1.57 0.13 -1.96 -3.37 132.00 125.01 1xwt h PRO 114 Ca -0.40 0.00 -0.66 0.00 -0.87 0.00 0.00 66.00 64.06 1xwt h PRO 114 Cb 1.34 0.00 -0.16 0.00 0.13 0.00 0.00 31.00 32.31 1xwt h PRO 114 CO 0.60 0.03 0.08 0.34 -0.23 0.00 0.00 178.00 178.82 1xwt s ASP 115 N -6.30 6.29 0.51 1.44 -1.08 -1.26 -4.94 116.67 111.34 1xwt s ASP 115 Ca -0.05 -0.47 0.19 0.00 -0.52 0.00 0.00 52.55 51.71 1xwt s ASP 115 Cb 0.15 -2.31 1.28 0.00 -1.46 0.00 0.00 42.92 40.59 1xwt s ASP 115 CO 0.57 -0.78 2.06 0.00 0.52 0.00 0.00 175.17 177.54 1xwt h ALA 116 N 8.89 2.21 0.00 3.66 0.00 -1.98 -1.12 119.26 130.91 1xwt h ALA 116 Ca -0.26 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 54.64 1xwt h ALA 116 Cb 1.10 0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.89 1xwt h ALA 116 CO 0.90 -0.28 0.00 0.87 0.00 0.00 0.00 179.25 180.73 1xwt h LYS 117 N 0.06 0.00 -0.00 0.00 1.57 -1.92 -2.79 116.57 113.48 1xwt h LYS 117 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xwt h LYS 117 Cb 0.49 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.80 1xwt h LYS 117 CO -0.01 0.00 -0.70 1.63 -0.57 0.00 0.00 179.45 179.80 1xwt n LYS 118 N -2.88 0.36 -1.89 3.15 5.02 -0.43 -4.86 118.16 116.63 1xwt n LYS 118 Ca 0.00 -0.28 -0.42 0.00 -2.02 0.00 0.00 58.31 55.59 1xwt n LYS 118 Cb 0.26 -1.49 -0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1xwt n LYS 118 CO 0.00 0.00 0.00 -0.65 -0.52 0.00 0.00 177.40 176.23 1xwt s GLN 119 N -2.83 4.17 0.00 1.97 -0.21 -1.06 -2.12 119.66 119.58 1xwt s GLN 119 Ca 0.13 2.34 0.00 0.00 0.02 0.00 0.00 55.36 57.85 1xwt s GLN 119 Cb 0.17 -4.05 0.00 0.00 1.00 0.00 0.00 33.01 30.14 1xwt s GLN 119 CO 0.73 -0.88 0.00 0.41 -2.12 0.00 0.00 175.29 173.43 1xwt n GLY 120 N 4.28 0.78 3.90 3.09 0.00 -0.85 -4.90 105.19 111.49 1xwt n GLY 120 Ca 0.18 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.92 1xwt n GLY 120 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1xwt s VAL 121 N -2.96 3.37 -0.27 1.61 -7.23 -0.90 -4.70 120.40 109.32 1xwt s VAL 121 Ca 0.00 0.23 -0.08 0.00 -1.81 0.00 0.00 61.98 60.32 1xwt s VAL 121 Cb 0.00 -3.41 -0.02 0.00 0.56 0.00 0.00 36.38 33.51 1xwt s VAL 121 CO 0.00 -0.49 0.08 -0.31 -0.31 0.00 0.00 175.10 174.08 1xwt s TYR 122 N -3.23 3.11 0.05 2.82 1.51 -1.26 -0.51 117.35 119.83 1xwt s TYR 122 Ca 0.57 -0.53 -0.33 0.00 -1.01 0.00 0.00 57.07 55.77 1xwt s TYR 122 Cb -0.11 -2.26 -0.12 0.00 -0.11 0.00 0.00 41.96 39.36 1xwt s TYR 122 CO 0.49 -0.41 1.79 0.00 -1.11 0.00 0.00 175.55 176.31 1xwt n ALA 123 N 4.92 1.42 0.17 3.71 0.00 0.03 -4.09 120.51 126.68 1xwt n ALA 123 Ca -0.16 0.33 0.04 0.00 0.00 0.00 0.00 53.44 53.66 1xwt n ALA 123 Cb 0.51 -2.50 0.25 0.00 0.00 0.00 0.00 19.45 17.71 1xwt n ALA 123 CO 0.00 0.00 0.00 0.11 0.00 0.00 0.00 177.50 177.61 1xwt h TRP 124 N 8.20 0.00 -3.25 0.00 5.08 -0.93 -3.41 115.95 121.64 1xwt h TRP 124 Ca -0.47 0.00 -0.50 0.00 1.08 0.00 0.00 58.89 59.00 1xwt h TRP 124 Cb 1.25 0.00 -0.38 0.00 -3.00 0.00 0.00 29.16 27.03 1xwt h TRP 124 CO 0.79 0.45 -0.78 0.21 -1.28 0.00 0.00 178.44 177.83 1xwt s LYS 125 N -3.46 1.03 0.27 0.12 2.20 -1.21 -2.94 119.74 115.75 1xwt s LYS 125 Ca 0.01 -0.21 0.10 0.00 -0.36 0.00 0.00 55.97 55.51 1xwt s LYS 125 Cb 0.10 -1.54 -0.04 0.00 -1.51 0.00 0.00 37.83 34.84 1xwt s LYS 125 CO 0.71 -0.38 -0.06 -0.51 -0.36 0.00 0.00 175.35 174.75 1xwt s LEU 126 N 1.81 3.03 0.13 5.43 1.02 -0.21 -0.73 118.68 129.15 1xwt s LEU 126 Ca 0.03 -0.75 -0.04 0.00 0.02 0.00 0.00 54.13 53.39 1xwt s LEU 126 Cb -0.14 -1.55 -0.03 0.00 0.02 0.00 0.00 46.19 44.50 1xwt s LEU 126 CO -0.07 0.01 0.12 -0.54 0.02 0.00 0.00 176.35 175.90 1xwt s LYS 127 N -3.61 0.94 -0.03 1.70 1.02 -0.56 -0.99 119.74 118.22 1xwt s LYS 127 Ca 0.31 -1.29 -0.19 0.00 0.02 0.00 0.00 55.97 54.82 1xwt s LYS 127 Cb -0.06 0.29 -0.05 0.00 -0.52 0.00 0.00 37.83 37.49 1xwt s LYS 127 CO 0.18 -0.29 0.55 -0.51 -0.92 0.00 0.00 175.35 174.37 1xwt s LEU 128 N -2.99 4.39 0.00 3.17 1.43 -1.26 -1.06 118.68 122.36 1xwt s LEU 128 Ca 0.18 1.06 -0.13 0.00 -1.03 0.00 0.00 54.13 54.21 1xwt s LEU 128 Cb 0.06 -2.84 0.19 0.00 0.03 0.00 0.00 46.19 43.63 1xwt s LEU 128 CO -0.02 0.09 0.96 -0.46 0.23 0.00 0.00 176.35 177.15 1xwt n ASN 129 N 2.90 -0.44 0.27 2.29 0.23 0.38 -4.83 115.26 116.06 1xwt n ASN 129 Ca -0.07 -1.27 0.18 0.00 -0.53 0.00 0.00 54.58 52.89 1xwt n ASN 129 Cb 0.51 -0.77 0.91 0.00 -2.08 0.00 0.00 39.78 38.36 1xwt n ASN 129 CO 0.00 0.00 0.00 0.06 -0.93 0.00 0.00 177.26 176.39 1xwt h GLN 130 N 0.00 0.00 -0.25 -3.83 -0.00 -1.99 -0.94 115.11 108.10 1xwt h GLN 130 Ca -0.32 0.00 0.00 0.00 -0.00 0.00 0.00 58.65 58.33 1xwt h GLN 130 Cb 0.91 0.00 0.00 0.00 -0.00 0.00 0.00 27.48 28.39 1xwt h GLN 130 CO 0.22 0.00 0.00 0.09 -0.00 0.00 0.00 178.83 179.14 1xwt n ASN 131 N -2.84 3.06 0.00 0.06 3.02 -1.26 -4.97 115.26 112.33 1xwt n ASN 131 Ca -0.01 -1.94 0.00 0.00 -0.03 0.00 0.00 54.58 52.59 1xwt n ASN 131 Cb 0.13 -0.16 0.00 0.00 -0.61 0.00 0.00 39.78 39.14 1xwt n ASN 131 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 1xwt n GLY 132 N 1.41 0.79 3.82 7.41 0.00 -0.36 -5.07 105.19 113.19 1xwt n GLY 132 Ca 0.18 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.86 1xwt n GLY 132 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1xwt s PHE 133 N -2.18 3.39 0.37 1.61 0.08 -1.26 -4.71 117.98 115.28 1xwt s PHE 133 Ca 0.00 0.30 -0.26 0.00 0.12 0.00 0.00 56.93 57.10 1xwt s PHE 133 Cb 0.00 -1.80 -0.09 0.00 -0.57 0.00 0.00 43.02 40.55 1xwt s PHE 133 CO 0.00 0.60 1.07 0.54 -0.10 0.00 0.00 175.22 177.33 1xwt s VAL 134 N -1.15 3.63 0.10 -0.44 0.11 -1.26 -0.47 120.40 120.92 1xwt s VAL 134 Ca 0.21 1.35 -0.14 0.00 -2.93 0.00 0.00 61.98 60.47 1xwt s VAL 134 Cb -0.12 -3.75 0.02 0.00 -1.53 0.00 0.00 36.38 31.00 1xwt s VAL 134 CO 0.11 0.11 0.34 -0.72 -3.33 0.00 0.00 175.10 171.61 1xwt s TYR 135 N -1.51 -0.11 -0.23 1.54 1.13 -0.22 -4.91 117.35 113.04 1xwt s TYR 135 Ca 0.54 -0.18 -0.24 0.00 -1.41 0.00 0.00 57.07 55.78 1xwt s TYR 135 Cb -0.25 0.16 -0.01 0.00 -1.10 0.00 0.00 41.96 40.76 1xwt s TYR 135 CO 0.32 -0.63 0.79 0.15 -2.51 0.00 0.00 175.55 173.67 1xwt s LYS 136 N -3.54 4.19 -0.08 -3.49 1.02 -1.26 -1.49 119.74 115.09 1xwt s LYS 136 Ca 0.02 0.89 -0.23 0.00 0.02 0.00 0.00 55.97 56.67 1xwt s LYS 136 Cb 0.02 -3.63 -0.29 0.00 -0.52 0.00 0.00 37.83 33.40 1xwt s LYS 136 CO -0.10 -0.47 0.80 0.28 -0.92 0.00 0.00 175.35 174.95 1xwt h VAL 137 N 5.38 1.49 -3.26 3.17 2.07 -1.25 -3.46 116.25 120.38 1xwt h VAL 137 Ca -0.25 -2.47 -0.41 0.00 0.82 0.00 0.00 66.70 64.40 1xwt h VAL 137 Cb 1.10 3.15 -0.39 0.00 -1.52 0.00 0.00 31.29 33.63 1xwt h VAL 137 CO 0.85 0.68 -0.75 -0.62 0.02 0.00 0.00 177.57 177.75 1xwt s ASP 138 N -6.82 1.50 0.27 0.57 -1.08 -0.93 -5.03 116.67 105.14 1xwt s ASP 138 Ca -0.16 -0.09 0.26 0.00 -0.52 0.00 0.00 52.55 52.03 1xwt s ASP 138 Cb 0.01 -0.26 0.83 0.00 -1.46 0.00 0.00 42.92 42.03 1xwt s ASP 138 CO 0.79 -0.25 1.75 -0.33 0.52 0.00 0.00 175.17 177.65 1xwt h GLU 139 N 8.39 0.00 -7.11 4.34 5.08 -1.88 -3.04 114.58 120.36 1xwt h GLU 139 Ca -0.15 0.00 -0.52 0.00 -1.00 0.00 0.00 59.36 57.69 1xwt h GLU 139 Cb 1.12 0.00 0.11 0.00 0.50 0.00 0.00 28.75 30.49 1xwt h GLU 139 CO 0.21 0.00 0.45 0.20 -1.00 0.00 0.00 179.01 178.87 1xwt s GLY 140 N -3.68 2.65 0.55 -3.84 0.00 -1.26 -4.05 107.32 97.69 1xwt s GLY 140 Ca 0.08 0.94 -0.07 0.00 0.00 0.00 0.00 44.72 45.67 1xwt s GLY 140 CO 0.55 1.32 0.88 2.56 0.00 0.00 0.00 173.10 178.42 1xwt s PRO 141 N -3.43 3.32 -0.56 2.90 0.04 -1.26 -0.96 135.00 135.04 1xwt s PRO 141 Ca 0.76 0.25 -0.01 0.00 0.04 0.00 0.00 61.00 62.04 1xwt s PRO 141 Cb -0.29 -2.27 0.14 0.00 0.04 0.00 0.00 34.50 32.13 1xwt s PRO 141 CO 0.34 -0.47 0.35 0.00 0.04 0.00 0.00 177.00 177.26 1xwt s ALA 142 N -2.93 3.43 0.65 8.56 0.00 -1.26 -4.82 121.76 125.38 1xwt s ALA 142 Ca 0.51 -3.17 0.35 0.00 0.00 0.00 0.00 51.96 49.66 1xwt s ALA 142 Cb -0.11 -2.46 1.96 0.00 0.00 0.00 0.00 23.12 22.51 1xwt s ALA 142 CO 0.47 -2.03 2.15 -1.35 0.00 0.00 0.00 175.76 175.00 1xwt h PRO 143 N 6.99 0.00 0.00 0.00 0.11 -1.84 0.11 132.00 137.37 1xwt h PRO 143 Ca -0.05 0.00 -0.01 0.00 0.11 0.00 0.00 66.00 66.06 1xwt h PRO 143 Cb 0.95 0.00 -0.00 0.00 0.11 0.00 0.00 31.00 32.05 1xwt h PRO 143 CO 0.70 0.00 -0.03 0.38 -0.21 0.00 0.00 178.00 178.83 1xwt h ASP 144 N 0.00 0.00 0.32 -2.05 2.03 -1.90 -2.43 116.42 112.39 1xwt h ASP 144 Ca 0.02 0.00 -0.02 0.00 -0.73 0.00 0.00 57.03 56.31 1xwt h ASP 144 Cb 0.35 0.00 0.00 0.00 -0.83 0.00 0.00 39.33 38.85 1xwt h ASP 144 CO -0.00 0.03 -0.15 1.23 -1.03 0.00 0.00 179.24 179.32 1xwt h GLY 145 N 1.38 -0.45 0.70 7.15 0.00 -1.06 -1.28 103.07 109.52 1xwt h GLY 145 Ca -0.00 0.17 0.07 0.00 0.00 0.00 0.00 47.33 47.56 1xwt h GLY 145 CO 0.00 -0.16 0.56 0.83 0.00 0.00 0.00 176.54 177.77 1xwt h GLU 146 N -0.44 0.98 -0.35 4.80 3.07 -1.64 0.15 114.58 121.15 1xwt h GLU 146 Ca -0.04 -0.06 0.03 0.00 -0.50 0.00 0.00 59.36 58.79 1xwt h GLU 146 Cb 0.34 -0.22 -0.03 0.00 -0.84 0.00 0.00 28.75 28.00 1xwt h GLU 146 CO 0.07 0.65 0.17 0.93 -1.40 0.00 0.00 179.01 179.43 1xwt h GLU 147 N 1.01 0.34 -0.20 2.33 5.08 -1.25 -1.05 114.58 120.84 1xwt h GLU 147 Ca 0.39 -0.02 -0.13 0.00 -1.00 0.00 0.00 59.36 58.60 1xwt h GLU 147 Cb 0.19 -0.08 -0.01 0.00 0.50 0.00 0.00 28.75 29.36 1xwt h GLU 147 CO -0.18 0.22 -0.43 1.88 -1.00 0.00 0.00 179.01 179.50 1xwt h TYR 148 N 0.35 0.57 -0.18 4.33 0.05 -0.74 -1.90 116.97 119.46 1xwt h TYR 148 Ca 0.15 -0.17 0.01 0.00 0.05 0.00 0.00 58.73 58.77 1xwt h TYR 148 Cb 0.07 -0.12 -0.01 0.00 1.01 0.00 0.00 36.73 37.68 1xwt h TYR 148 CO -0.11 0.83 0.09 0.74 -1.05 0.00 0.00 178.16 178.66 1xwt h PHE 149 N 0.39 0.16 -0.49 4.88 0.04 -0.43 0.98 116.94 122.47 1xwt h PHE 149 Ca 0.03 0.01 0.00 0.00 2.80 0.00 0.00 57.97 60.81 1xwt h PHE 149 Cb 0.91 -0.05 -0.02 0.00 2.20 0.00 0.00 35.95 38.99 1xwt h PHE 149 CO 0.03 0.09 0.33 0.00 -0.60 0.00 0.00 178.31 178.16 1xwt h ALA 150 N 1.09 0.63 0.11 2.45 0.00 -1.08 -0.09 119.26 122.37 1xwt h ALA 150 Ca 0.07 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.95 1xwt h ALA 150 Cb 0.02 -0.20 -0.02 0.00 0.00 0.00 0.00 17.79 17.59 1xwt h ALA 150 CO -0.05 0.07 -0.14 0.35 0.00 0.00 0.00 179.25 179.48 1xwt h PHE 151 N 0.67 -0.36 -0.78 0.00 3.57 -1.16 -1.50 116.94 117.38 1xwt h PHE 151 Ca 0.18 0.00 -0.01 0.00 3.53 0.00 0.00 57.97 61.67 1xwt h PHE 151 Cb -0.07 0.14 -0.04 0.00 2.79 0.00 0.00 35.95 38.77 1xwt h PHE 151 CO -0.04 -0.21 0.44 0.00 -2.23 0.00 0.00 178.31 176.27 1xwt h ALA 152 N 0.56 1.00 -0.49 2.41 0.00 -0.58 -2.40 119.26 119.76 1xwt h ALA 152 Ca 0.01 -0.11 -0.10 0.00 0.00 0.00 0.00 54.91 54.71 1xwt h ALA 152 Cb 0.29 -0.31 -0.02 0.00 0.00 0.00 0.00 17.79 17.75 1xwt h ALA 152 CO -0.06 0.49 -0.10 -0.07 0.00 0.00 0.00 179.25 179.51 1xwt h LEU 153 N 1.07 0.93 -0.88 0.00 3.38 -0.87 -0.29 115.31 118.65 1xwt h LEU 153 Ca 0.28 -0.35 0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xwt h LEU 153 Cb 0.01 -0.25 -0.04 0.00 0.09 0.00 0.00 40.66 40.46 1xwt h LEU 153 CO -0.05 1.07 0.56 -0.07 0.09 0.00 0.00 178.44 180.04 1xwt h LEU 154 N 0.78 1.04 -0.67 1.67 3.38 -1.12 -1.19 115.31 119.20 1xwt h LEU 154 Ca 0.13 -0.05 -0.10 0.00 0.09 0.00 0.00 57.88 57.94 1xwt h LEU 154 Cb 0.65 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 41.12 1xwt h LEU 154 CO 0.05 0.78 -0.09 0.78 0.09 0.00 0.00 178.44 180.05 1xwt h ASN 155 N 1.21 0.94 -0.57 -0.43 2.35 -1.20 -2.33 115.58 115.56 1xwt h ASN 155 Ca 0.32 -0.29 -0.02 0.00 -0.55 0.00 0.00 56.30 55.76 1xwt h ASN 155 Cb -0.09 -0.25 -0.03 0.00 0.05 0.00 0.00 38.32 38.00 1xwt h ASN 155 CO -0.06 1.05 0.28 0.00 -1.65 0.00 0.00 177.43 177.04 1xwt h ALA 156 N 1.04 0.73 -0.37 -0.83 0.00 -0.72 -1.07 119.26 118.04 1xwt h ALA 156 Ca 0.14 -0.13 0.06 0.00 0.00 0.00 0.00 54.91 54.99 1xwt h ALA 156 Cb 0.62 -0.22 -0.05 0.00 0.00 0.00 0.00 17.79 18.13 1xwt h ALA 156 CO 0.04 0.29 0.05 1.03 0.00 0.00 0.00 179.25 180.66 1xwt h SER 157 N 0.77 -0.05 -0.54 0.00 0.87 -1.14 0.64 113.55 114.10 1xwt h SER 157 Ca 0.19 0.07 -0.09 0.00 -1.23 0.00 0.00 61.79 60.74 1xwt h SER 157 Cb 0.11 0.11 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1xwt h SER 157 CO -0.03 0.01 0.01 0.00 -0.53 0.00 0.00 176.83 176.29 1xwt h ALA 158 N 1.30 0.94 0.13 6.23 0.00 -0.93 -0.97 119.26 125.95 1xwt h ALA 158 Ca 0.18 -0.29 -0.29 0.00 0.00 0.00 0.00 54.91 54.50 1xwt h ALA 158 Cb 0.23 -0.22 -0.00 0.00 0.00 0.00 0.00 17.79 17.80 1xwt h ALA 158 CO -0.26 0.64 -1.42 0.00 0.00 0.00 0.00 179.25 178.21 1xwt h ARG 159 N 0.90 0.27 0.00 0.00 3.08 -1.00 -3.42 114.38 114.22 1xwt h ARG 159 Ca 0.17 -0.46 0.00 0.00 0.07 0.00 0.00 59.98 59.75 1xwt h ARG 159 Cb 0.51 0.17 0.00 0.00 0.08 0.00 0.00 29.97 30.74 1xwt h ARG 159 CO 0.03 1.17 -0.24 0.91 -1.07 0.00 0.00 179.97 180.76 1xwt n TRP 160 N -3.49 0.00 -0.79 3.04 8.01 0.20 -5.10 117.44 119.31 1xwt n TRP 160 Ca -0.13 0.00 0.05 0.00 -1.31 0.00 0.00 57.50 56.11 1xwt n TRP 160 Cb 1.04 -0.00 -0.01 0.00 -2.01 0.00 0.00 31.31 30.32 1xwt n TRP 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.69 177.09 1xwt n GLY 161 N 1.32 -2.12 0.27 6.99 0.00 -0.37 -4.78 105.19 106.49 1xwt n GLY 161 Ca 0.00 -1.41 0.07 0.00 0.00 0.00 0.00 46.02 44.68 1xwt n GLY 161 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwt n ASN 162 N -1.82 1.77 -0.72 1.61 3.02 -1.26 -4.66 115.26 113.20 1xwt n ASN 162 Ca 0.00 -2.94 0.09 0.00 -0.03 0.00 0.00 54.58 51.69 1xwt n ASN 162 Cb 0.18 -0.39 0.09 0.00 -0.61 0.00 0.00 39.78 39.05 1xwt n ASN 162 CO 0.00 0.00 0.00 -1.54 -2.62 0.00 0.00 177.26 173.10 1xwt n SER 163 N -1.06 2.54 -0.71 6.41 3.41 -1.26 -4.17 113.62 118.79 1xwt n SER 163 Ca 0.13 -1.75 0.00 0.00 -0.26 0.00 0.00 58.87 56.99 1xwt n SER 163 Cb 0.68 -0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.58 1xwt n SER 163 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xwt n GLY 164 N 0.97 1.48 0.31 5.00 0.00 -1.26 -4.94 105.19 106.74 1xwt n GLY 164 Ca 0.11 -1.66 0.03 0.00 0.00 0.00 0.00 46.02 44.50 1xwt n GLY 164 CO 0.00 0.00 0.00 -2.09 0.00 0.00 0.00 173.32 171.23 1xwt h GLU 165 N 0.00 0.75 -6.22 1.61 4.81 -1.98 -3.42 114.58 110.14 1xwt h GLU 165 Ca 0.00 -0.05 -0.69 0.00 -0.13 0.00 0.00 59.36 58.50 1xwt h GLU 165 Cb 0.00 -0.17 -0.25 0.00 0.63 0.00 0.00 28.75 28.96 1xwt h GLU 165 CO 0.00 0.50 -0.79 -0.06 -0.73 0.00 0.00 179.01 177.93 1xwt s PHE 166 N -6.02 2.67 -1.10 0.92 0.08 -1.26 -5.03 117.98 108.23 1xwt s PHE 166 Ca -0.12 -0.26 -0.17 0.00 0.12 0.00 0.00 56.93 56.49 1xwt s PHE 166 Cb 0.20 -1.64 0.13 0.00 -0.57 0.00 0.00 43.02 41.14 1xwt s PHE 166 CO 0.78 0.10 1.36 1.21 -0.10 0.00 0.00 175.22 178.57 1xwt s ASN 167 N -0.57 6.83 0.27 1.36 3.84 -1.26 -4.34 114.94 121.07 1xwt s ASN 167 Ca 0.08 -2.44 -0.01 0.00 0.21 0.00 0.00 52.86 50.70 1xwt s ASN 167 Cb -0.11 -2.44 0.49 0.00 -0.55 0.00 0.00 41.25 38.64 1xwt s ASN 167 CO 0.01 -0.99 1.82 1.88 -2.79 0.00 0.00 177.10 177.04 1xwt h TYR 168 N 8.07 1.02 -0.05 0.43 0.05 -1.85 -1.36 116.97 123.29 1xwt h TYR 168 Ca 0.26 0.03 -0.00 0.00 0.05 0.00 0.00 58.73 59.07 1xwt h TYR 168 Cb 0.94 -0.32 -0.00 0.00 1.01 0.00 0.00 36.73 38.36 1xwt h TYR 168 CO 1.18 0.40 0.02 -0.92 -1.05 0.00 0.00 178.16 177.79 1xwt h TYR 169 N 0.90 0.07 -0.79 4.88 3.20 -1.90 0.74 116.97 124.07 1xwt h TYR 169 Ca 0.46 -0.00 -0.04 0.00 3.14 0.00 0.00 58.73 62.29 1xwt h TYR 169 Cb 0.45 -0.02 -0.04 0.00 1.54 0.00 0.00 36.73 38.66 1xwt h TYR 169 CO -0.03 0.19 0.35 -0.97 -1.64 0.00 0.00 178.16 176.06 1xwt h ASN 170 N -0.07 1.05 -0.76 -2.11 -0.73 -1.90 -0.68 115.58 110.38 1xwt h ASN 170 Ca 0.02 -0.14 -0.01 0.00 1.87 0.00 0.00 56.30 58.04 1xwt h ASN 170 Cb 0.15 -0.27 -0.04 0.00 0.27 0.00 0.00 38.32 38.43 1xwt h ASN 170 CO -0.00 0.90 0.43 0.44 -0.37 0.00 0.00 177.43 178.83 1xwt h ASP 171 N 1.13 0.95 -0.30 1.15 3.32 -1.00 -1.68 116.42 119.99 1xwt h ASP 171 Ca 0.27 -0.07 -0.05 0.00 0.02 0.00 0.00 57.03 57.20 1xwt h ASP 171 Cb 0.15 -0.24 -0.01 0.00 0.22 0.00 0.00 39.33 39.45 1xwt h ASP 171 CO -0.03 0.76 -0.01 0.00 -1.72 0.00 0.00 179.24 178.24 1xwt h ALA 172 N 1.40 0.41 -0.54 3.45 0.00 -0.03 -1.52 119.26 122.42 1xwt h ALA 172 Ca 0.27 -0.24 -0.07 0.00 0.00 0.00 0.00 54.91 54.87 1xwt h ALA 172 Cb 0.01 -0.11 -0.02 0.00 0.00 0.00 0.00 17.79 17.67 1xwt h ALA 172 CO -0.05 0.17 0.05 0.82 0.00 0.00 0.00 179.25 180.24 1xwt h ILE 173 N 0.33 1.25 -0.52 0.00 1.08 -1.00 0.32 117.51 118.96 1xwt h ILE 173 Ca 0.08 -1.00 -0.00 0.00 -0.39 0.00 0.00 64.86 63.56 1xwt h ILE 173 Cb 0.46 0.78 -0.02 0.00 -3.07 0.00 0.00 36.82 34.96 1xwt h ILE 173 CO 0.02 0.36 0.31 0.74 -0.69 0.00 0.00 178.15 178.89 1xwt h THR 174 N 0.83 1.16 -0.66 -0.27 2.02 -1.22 -1.33 112.91 113.45 1xwt h THR 174 Ca 0.17 -0.35 -0.01 0.00 0.77 0.00 0.00 66.41 66.98 1xwt h THR 174 Cb 0.43 0.46 -0.03 0.00 -1.74 0.00 0.00 68.15 67.27 1xwt h THR 174 CO 0.02 0.16 0.36 -0.03 0.37 0.00 0.00 175.52 176.40 1xwt h MET 175 N 0.69 0.91 -0.79 6.66 1.85 -0.71 -1.24 114.93 122.31 1xwt h MET 175 Ca 0.18 -0.10 -0.00 0.00 -0.61 0.00 0.00 59.70 59.17 1xwt h MET 175 Cb -0.01 -0.18 -0.04 0.00 0.43 0.00 0.00 31.60 31.80 1xwt h MET 175 CO -0.03 0.68 0.49 -0.07 -0.40 0.00 0.00 176.91 177.58 1xwt h LEU 176 N 0.90 0.94 -0.68 3.39 3.38 -0.69 -0.66 115.31 121.89 1xwt h LEU 176 Ca 0.23 -0.05 -0.08 0.00 0.09 0.00 0.00 57.88 58.07 1xwt h LEU 176 Cb 0.03 -0.24 -0.03 0.00 0.09 0.00 0.00 40.66 40.52 1xwt h LEU 176 CO -0.04 0.71 0.12 -1.13 0.09 0.00 0.00 178.44 178.19 1xwt h ASN 177 N 1.08 1.07 -0.65 -0.43 -0.73 -0.96 -1.02 115.58 113.93 1xwt h ASN 177 Ca 0.29 -0.26 -0.00 0.00 1.87 0.00 0.00 56.30 58.20 1xwt h ASN 177 Cb -0.07 -0.28 -0.03 0.00 0.27 0.00 0.00 38.32 38.21 1xwt h ASN 177 CO -0.06 1.05 0.40 0.74 -0.37 0.00 0.00 177.43 179.20 1xwt h THR 178 N 1.04 1.19 -0.11 -3.57 2.02 -0.81 -0.07 112.91 112.61 1xwt h THR 178 Ca 0.21 -0.40 -0.00 0.00 0.77 0.00 0.00 66.41 66.98 1xwt h THR 178 Cb 0.43 0.28 -0.00 0.00 -1.74 0.00 0.00 68.15 67.11 1xwt h THR 178 CO 0.01 0.19 0.05 0.40 0.37 0.00 0.00 175.52 176.54 1xwt h ILE 179 N 0.89 1.11 -0.68 3.11 2.04 -0.78 0.94 117.51 124.14 1xwt h ILE 179 Ca 0.24 -0.32 0.00 0.00 1.00 0.00 0.00 64.86 65.77 1xwt h ILE 179 Cb -0.04 1.13 -0.03 0.00 -0.74 0.00 0.00 36.82 37.14 1xwt h ILE 179 CO -0.05 0.10 0.43 0.50 0.00 0.00 0.00 178.15 179.14 1xwt h LYS 180 N 0.05 0.91 0.00 2.37 3.64 -1.01 -0.22 116.57 122.32 1xwt h LYS 180 Ca 0.04 -0.07 -0.12 0.00 -1.27 0.00 0.00 60.65 59.23 1xwt h LYS 180 Cb 0.11 -0.20 -0.02 0.00 -0.41 0.00 0.00 32.23 31.71 1xwt h LYS 180 CO -0.00 0.63 -1.05 -0.91 -2.27 0.00 0.00 179.45 175.84 1xwt h ASN 181 N 0.93 0.00 0.00 4.20 2.35 -0.86 -3.39 115.58 118.81 1xwt h ASN 181 Ca 0.25 0.00 -0.01 0.00 -0.55 0.00 0.00 56.30 55.99 1xwt h ASN 181 Cb -0.07 0.00 -0.00 0.00 0.05 0.00 0.00 38.32 38.30 1xwt h ASN 181 CO -0.05 0.44 -1.06 0.29 -1.65 0.00 0.00 177.43 175.40 1xwt n LYS 182 N -2.95 1.85 -0.08 0.81 4.76 0.31 -4.86 118.16 118.01 1xwt n LYS 182 Ca -0.04 -0.01 0.05 0.00 -2.87 0.00 0.00 58.31 55.44 1xwt n LYS 182 Cb 0.75 -1.03 0.07 0.00 -1.84 0.00 0.00 35.03 32.98 1xwt n LYS 182 CO 0.00 0.00 0.00 1.28 -1.37 0.00 0.00 177.40 177.31 1xwt n LEU 183 N -1.78 1.83 -4.28 -0.35 4.77 -0.11 -4.62 117.00 112.46 1xwt n LEU 183 Ca -0.01 -2.27 -0.27 0.00 -0.03 0.00 0.00 56.01 53.43 1xwt n LEU 183 Cb 0.27 -0.20 -0.14 0.00 -2.33 0.00 0.00 43.42 41.01 1xwt n LEU 183 CO 0.02 0.54 -0.54 -0.04 -1.33 0.00 0.00 177.39 176.04 1xwt s MET 184 N -1.71 1.54 -0.14 3.23 -1.94 -1.09 -0.68 119.30 118.50 1xwt s MET 184 Ca 0.15 -1.00 -0.00 0.00 -1.71 0.00 0.00 55.69 53.13 1xwt s MET 184 Cb 0.13 -1.67 0.03 0.00 2.01 0.00 0.00 34.83 35.33 1xwt s MET 184 CO 0.01 0.43 -0.10 -2.00 -0.01 0.00 0.00 175.02 173.36 1xwt s GLU 185 N -1.19 1.80 -1.58 2.03 2.12 -0.30 -4.83 118.70 116.76 1xwt s GLU 185 Ca 0.09 -0.45 -0.10 0.00 0.36 0.00 0.00 54.97 54.87 1xwt s GLU 185 Cb -0.09 -1.90 0.09 0.00 0.26 0.00 0.00 34.13 32.49 1xwt s GLU 185 CO 0.02 -0.30 0.58 0.09 -0.54 0.00 0.00 175.26 175.11 1xwt n ASN 186 N 4.86 -1.83 -0.96 -1.70 5.03 -1.26 -1.29 115.26 118.11 1xwt n ASN 186 Ca -0.14 -1.03 -0.12 0.00 0.87 0.00 0.00 54.58 54.16 1xwt n ASN 186 Cb 0.49 -2.77 -0.05 0.00 -1.02 0.00 0.00 39.78 36.43 1xwt n ASN 186 CO 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 177.26 175.43 1xwt n GLN 187 N -4.41 -0.84 -5.17 3.52 6.02 -1.26 -5.01 117.38 110.23 1xwt n GLN 187 Ca -0.10 0.89 -0.32 0.00 -0.01 0.00 0.00 57.00 57.46 1xwt n GLN 187 Cb 0.58 -4.92 -0.17 0.00 1.02 0.00 0.00 30.24 26.76 1xwt n GLN 187 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 1xwt s ILE 188 N -2.46 2.19 0.27 5.09 1.01 -0.41 -4.60 121.20 122.29 1xwt s ILE 188 Ca 0.00 -0.98 -0.31 0.00 0.00 0.00 0.00 60.65 59.36 1xwt s ILE 188 Cb 0.00 -1.84 -0.13 0.00 0.01 0.00 0.00 42.46 40.51 1xwt s ILE 188 CO 0.00 0.56 1.49 0.00 0.00 0.00 0.00 174.94 176.99 1xwt n ILE 189 N 3.40 1.00 -2.99 2.92 0.13 -1.26 -1.15 119.36 121.41 1xwt n ILE 189 Ca -0.19 -0.25 -0.34 0.00 -1.10 0.00 0.00 62.75 60.87 1xwt n ILE 189 Cb 0.53 -1.70 -0.06 0.00 -0.84 0.00 0.00 39.64 37.57 1xwt n ILE 189 CO 0.00 0.00 0.00 -0.13 2.80 0.00 0.00 176.55 179.22 1xwt s ARG 190 N -0.48 4.20 0.10 9.51 0.52 0.15 -4.55 118.95 128.40 1xwt s ARG 190 Ca 0.66 0.93 -0.16 0.00 -0.52 0.00 0.00 55.73 56.65 1xwt s ARG 190 Cb -0.58 -2.50 -0.07 0.00 0.52 0.00 0.00 34.95 32.32 1xwt s ARG 190 CO 0.49 0.17 1.47 0.35 0.02 0.00 0.00 175.30 177.80 1xwt h PHE 191 N 2.53 0.75 -3.04 -0.53 3.57 -1.79 -3.42 116.94 115.00 1xwt h PHE 191 Ca -0.48 -0.19 -0.15 0.00 3.53 0.00 0.00 57.97 60.68 1xwt h PHE 191 Cb 1.18 -0.17 -0.25 0.00 2.79 0.00 0.00 35.95 39.50 1xwt h PHE 191 CO 0.62 0.88 -0.37 0.45 -2.23 0.00 0.00 178.31 177.66 1xwt s SER 192 N -6.35 -0.29 0.63 0.41 0.15 -1.26 -4.69 113.70 102.29 1xwt s SER 192 Ca -0.13 0.54 0.31 0.00 0.70 0.00 0.00 55.95 57.38 1xwt s SER 192 Cb 0.09 0.57 1.70 0.00 -1.71 0.00 0.00 66.02 66.67 1xwt s SER 192 CO 0.80 -0.12 2.01 -0.65 1.20 0.00 0.00 173.24 176.48 1xwt h PRO 193 N 5.56 0.00 -0.02 5.44 0.11 -1.91 -3.09 132.00 138.08 1xwt h PRO 193 Ca -0.26 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.85 1xwt h PRO 193 Cb 1.19 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.30 1xwt h PRO 193 CO 0.33 0.00 -0.17 0.66 -0.21 0.00 0.00 178.00 178.61 1xwt n TYR 194 N -3.31 0.00 -4.28 0.65 4.01 -1.26 -4.88 117.16 108.09 1xwt n TYR 194 Ca 0.01 0.00 -0.20 0.00 -0.16 0.00 0.00 57.90 57.55 1xwt n TYR 194 Cb 0.39 -0.00 -0.16 0.00 -0.31 0.00 0.00 39.34 39.26 1xwt n TYR 194 CO 0.00 0.00 0.00 0.42 -0.46 0.00 0.00 176.86 176.82 1xwt s ILE 195 N -2.17 0.66 0.36 -0.72 1.01 -1.17 -5.15 121.20 114.02 1xwt s ILE 195 Ca 0.25 -0.24 0.07 0.00 0.00 0.00 0.00 60.65 60.73 1xwt s ILE 195 Cb 0.19 -0.64 -0.00 0.00 0.01 0.00 0.00 42.46 42.02 1xwt s ILE 195 CO 0.40 0.24 0.49 -1.81 0.00 0.00 0.00 174.94 174.25 1xwt s ASP 196 N 0.59 5.87 -1.42 3.58 1.01 -1.26 -4.56 116.67 120.48 1xwt s ASP 196 Ca -0.09 -0.26 -0.06 0.00 0.71 0.00 0.00 52.55 52.85 1xwt s ASP 196 Cb -0.12 -1.07 0.04 0.00 1.01 0.00 0.00 42.92 42.78 1xwt s ASP 196 CO 0.01 -0.52 0.80 -3.20 0.21 0.00 0.00 175.17 172.47 1xwt n ASN 197 N -1.69 -2.67 -3.68 0.27 5.15 -1.26 -4.98 115.26 106.39 1xwt n ASN 197 Ca 0.02 -0.82 -0.11 0.00 -0.60 0.00 0.00 54.58 53.07 1xwt n ASN 197 Cb 0.58 -3.90 -0.11 0.00 -0.53 0.00 0.00 39.78 35.82 1xwt n ASN 197 CO 0.00 0.00 0.00 -0.22 1.40 0.00 0.00 177.26 178.44 1xwt s LEU 198 N -6.96 -0.23 0.22 1.20 2.96 -1.26 -4.22 118.68 110.38 1xwt s LEU 198 Ca 0.29 0.78 0.03 0.00 -0.22 0.00 0.00 54.13 55.00 1xwt s LEU 198 Cb -0.15 1.06 -0.05 0.00 0.50 0.00 0.00 46.19 47.56 1xwt s LEU 198 CO 0.83 -0.21 0.01 0.28 -1.32 0.00 0.00 176.35 175.94 1xwt s THR 199 N 2.02 0.86 -0.28 3.68 -1.32 -0.25 -2.45 115.64 117.90 1xwt s THR 199 Ca -0.04 -2.01 -0.02 0.00 -1.21 0.00 0.00 61.69 58.41 1xwt s THR 199 Cb -0.11 -2.32 0.04 0.00 -1.51 0.00 0.00 72.50 68.60 1xwt s THR 199 CO -0.11 -0.32 -0.02 -0.62 -2.21 0.00 0.00 174.62 171.34 1xwt s ASP 200 N -3.27 4.69 0.45 8.08 -1.08 -1.26 -1.31 116.67 122.98 1xwt s ASP 200 Ca 0.28 -1.11 0.27 0.00 -0.52 0.00 0.00 52.55 51.47 1xwt s ASP 200 Cb 0.06 -1.70 1.31 0.00 -1.46 0.00 0.00 42.92 41.13 1xwt s ASP 200 CO 0.08 -0.21 1.75 -0.65 0.52 0.00 0.00 175.17 176.66 1xwt h PRO 201 N 8.01 0.21 0.00 4.34 0.11 -1.77 0.02 132.00 142.92 1xwt h PRO 201 Ca -0.26 -0.01 0.00 0.00 0.11 0.00 0.00 66.00 65.84 1xwt h PRO 201 Cb 1.08 -0.05 0.00 0.00 0.11 0.00 0.00 31.00 32.14 1xwt h PRO 201 CO 0.55 0.14 0.00 0.66 -0.21 0.00 0.00 178.00 179.14 1xwt h SER 202 N 0.21 0.00 0.62 -2.05 4.64 -1.85 -1.98 113.55 113.14 1xwt h SER 202 Ca 0.63 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.95 1xwt h SER 202 Cb 1.97 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 64.06 1xwt h SER 202 CO -0.22 0.00 -0.15 -1.22 -0.87 0.00 0.00 176.83 174.37 1xwt n TYR 203 N -2.36 0.00 -2.98 4.77 4.01 -0.01 -4.82 117.16 115.78 1xwt n TYR 203 Ca -0.00 0.00 -0.43 0.00 -0.16 0.00 0.00 57.90 57.31 1xwt n TYR 203 Cb 0.13 -0.31 -0.06 0.00 -0.31 0.00 0.00 39.34 38.80 1xwt n TYR 203 CO 0.00 0.00 0.00 -1.01 -0.46 0.00 0.00 176.86 175.39 1xwt s HIS 204 N -2.77 2.99 -0.54 -0.72 3.76 -0.74 -4.89 115.29 112.38 1xwt s HIS 204 Ca 0.20 0.10 0.04 0.00 -0.15 0.00 0.00 55.06 55.25 1xwt s HIS 204 Cb 0.19 -3.64 0.16 0.00 1.11 0.00 0.00 32.58 30.41 1xwt s HIS 204 CO 0.54 -0.99 0.38 0.42 -0.85 0.00 0.00 174.74 174.24 1xwt s ILE 205 N 3.24 1.68 0.27 0.60 1.01 -1.26 -4.86 121.20 121.88 1xwt s ILE 205 Ca 0.28 -3.33 -0.01 0.00 0.00 0.00 0.00 60.65 57.60 1xwt s ILE 205 Cb -0.13 -2.13 0.26 0.00 0.01 0.00 0.00 42.46 40.48 1xwt s ILE 205 CO 0.22 -1.06 1.83 -0.65 0.00 0.00 0.00 174.94 175.28 1xwt h PRO 206 N 5.79 0.93 -0.24 2.79 0.11 -1.89 -1.18 132.00 138.31 1xwt h PRO 206 Ca 0.15 -0.06 -0.00 0.00 0.11 0.00 0.00 66.00 66.20 1xwt h PRO 206 Cb 0.85 -0.21 -0.01 0.00 0.11 0.00 0.00 31.00 31.74 1xwt h PRO 206 CO 0.55 0.62 0.14 0.00 -0.21 0.00 0.00 178.00 179.09 1xwt h ALA 207 N 1.51 1.80 -0.90 -0.75 0.00 -1.93 -1.07 119.26 117.93 1xwt h ALA 207 Ca 0.47 -0.03 0.01 0.00 0.00 0.00 0.00 54.91 55.35 1xwt h ALA 207 Cb 0.43 -0.10 -0.04 0.00 0.00 0.00 0.00 17.79 18.07 1xwt h ALA 207 CO -0.25 0.18 0.59 0.74 0.00 0.00 0.00 179.25 180.50 1xwt h PHE 208 N 0.32 1.13 -0.35 0.00 -1.00 -1.65 -1.42 116.94 113.97 1xwt h PHE 208 Ca 0.09 0.02 -0.11 0.00 2.81 0.00 0.00 57.97 60.78 1xwt h PHE 208 Cb -0.01 -0.38 -0.01 0.00 3.61 0.00 0.00 35.95 39.16 1xwt h PHE 208 CO 0.00 0.72 -0.24 1.88 -1.61 0.00 0.00 178.31 179.06 1xwt h TYR 209 N 1.22 0.78 -0.79 -0.55 0.05 -1.23 0.39 116.97 116.84 1xwt h TYR 209 Ca 0.33 -0.18 -0.03 0.00 0.05 0.00 0.00 58.73 58.90 1xwt h TYR 209 Cb -0.13 -0.19 -0.04 0.00 1.01 0.00 0.00 36.73 37.38 1xwt h TYR 209 CO -0.01 0.86 0.37 -0.44 -1.05 0.00 0.00 178.16 177.89 1xwt h ASP 210 N 0.60 1.04 -0.39 3.88 3.32 -1.21 -1.30 116.42 122.37 1xwt h ASP 210 Ca 0.08 -0.14 -0.01 0.00 0.02 0.00 0.00 57.03 56.98 1xwt h ASP 210 Cb 0.72 -0.27 -0.02 0.00 0.22 0.00 0.00 39.33 39.99 1xwt h ASP 210 CO 0.06 0.89 0.21 0.22 -1.72 0.00 0.00 179.24 178.89 1xwt h TYR 211 N 1.12 0.55 -0.40 4.55 3.20 -0.87 -2.54 116.97 122.58 1xwt h TYR 211 Ca 0.27 -0.02 0.06 0.00 3.14 0.00 0.00 58.73 62.18 1xwt h TYR 211 Cb 0.13 -0.17 -0.05 0.00 1.54 0.00 0.00 36.73 38.18 1xwt h TYR 211 CO 0.01 0.44 0.08 0.74 -1.64 0.00 0.00 178.16 177.80 1xwt h PHE 212 N 0.50 0.14 -0.96 -3.82 0.04 -0.64 -2.29 116.94 109.91 1xwt h PHE 212 Ca 0.14 0.02 0.09 0.00 2.80 0.00 0.00 57.97 61.02 1xwt h PHE 212 Cb 0.08 -0.00 -0.07 0.00 2.20 0.00 0.00 35.95 38.15 1xwt h PHE 212 CO -0.02 0.02 0.62 0.00 -0.60 0.00 0.00 178.31 178.33 1xwt h ALA 213 N 1.30 1.52 0.00 2.45 0.00 -1.02 -0.97 119.26 122.54 1xwt h ALA 213 Ca 0.19 -0.01 0.00 0.00 0.00 0.00 0.00 54.91 55.10 1xwt h ALA 213 Cb 0.22 -0.25 0.00 0.00 0.00 0.00 0.00 17.79 17.77 1xwt h ALA 213 CO -0.25 0.29 0.00 0.09 0.00 0.00 0.00 179.25 179.39 1xwt n ASN 214 N -4.54 0.00 -0.18 0.00 3.02 -0.90 -3.72 115.26 108.94 1xwt n ASN 214 Ca 0.16 0.11 0.02 0.00 -0.03 0.00 0.00 54.58 54.83 1xwt n ASN 214 Cb 0.27 -0.36 0.04 0.00 -0.61 0.00 0.00 39.78 39.12 1xwt n ASN 214 CO 0.00 0.00 0.00 0.59 -2.62 0.00 0.00 177.26 175.23 1xwt n ASN 215 N -1.36 2.05 -4.91 6.41 3.02 -0.40 -4.88 115.26 115.18 1xwt n ASN 215 Ca 0.11 -1.79 -0.21 0.00 -0.03 0.00 0.00 54.58 52.66 1xwt n ASN 215 Cb 0.26 -0.05 -0.03 0.00 -0.61 0.00 0.00 39.78 39.35 1xwt n ASN 215 CO 0.00 0.00 0.00 0.68 -2.62 0.00 0.00 177.26 175.32 1xwt s VAL 216 N -0.83 4.63 -0.23 2.41 -7.23 -0.98 -5.02 120.40 113.16 1xwt s VAL 216 Ca 0.06 -1.18 0.03 0.00 -1.81 0.00 0.00 61.98 59.08 1xwt s VAL 216 Cb 0.04 -3.57 -0.19 0.00 0.56 0.00 0.00 36.38 33.22 1xwt s VAL 216 CO 0.05 -0.30 -0.10 0.35 -0.31 0.00 0.00 175.10 174.79 1xwt n THR 217 N -1.35 1.52 -3.05 5.32 -2.24 -1.26 -4.86 114.28 108.35 1xwt n THR 217 Ca -0.07 -0.62 -0.35 0.00 -2.27 0.00 0.00 64.05 60.74 1xwt n THR 217 Cb 0.58 -1.34 -0.06 0.00 -2.10 0.00 0.00 70.33 67.41 1xwt n THR 217 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1xwt s ASN 218 N -6.46 7.00 0.18 3.42 2.20 -1.26 -4.95 114.94 115.07 1xwt s ASN 218 Ca -0.30 1.45 -0.13 0.00 -0.94 0.00 0.00 52.86 52.94 1xwt s ASN 218 Cb 0.08 -2.43 0.13 0.00 -2.00 0.00 0.00 41.25 37.03 1xwt s ASN 218 CO 0.65 -0.08 1.79 -0.61 -2.94 0.00 0.00 177.10 175.92 1xwt h GLN 219 N 2.94 0.51 -0.72 3.55 4.15 -2.00 -1.80 115.11 121.74 1xwt h GLN 219 Ca -0.48 -0.03 0.00 0.00 0.77 0.00 0.00 58.65 58.91 1xwt h GLN 219 Cb 1.19 -0.11 -0.04 0.00 0.21 0.00 0.00 27.48 28.73 1xwt h GLN 219 CO 0.65 0.33 0.46 0.00 -1.93 0.00 0.00 178.83 178.34 1xwt h ALA 220 N 1.26 0.91 -0.06 3.38 0.00 -2.00 -1.62 119.26 121.14 1xwt h ALA 220 Ca 0.22 -0.06 -0.17 0.00 0.00 0.00 0.00 54.91 54.89 1xwt h ALA 220 Cb 0.11 -0.29 -0.01 0.00 0.00 0.00 0.00 17.79 17.60 1xwt h ALA 220 CO -0.14 0.35 -0.71 -0.44 0.00 0.00 0.00 179.25 178.31 1xwt h ASP 221 N 0.97 0.34 -0.27 0.00 3.32 -1.88 -0.65 116.42 118.24 1xwt h ASP 221 Ca 0.26 -0.22 -0.00 0.00 0.02 0.00 0.00 57.03 57.09 1xwt h ASP 221 Cb -0.08 -0.10 -0.01 0.00 0.22 0.00 0.00 39.33 39.36 1xwt h ASP 221 CO -0.05 0.94 0.16 0.50 -1.72 0.00 0.00 179.24 179.07 1xwt h LYS 222 N 0.20 0.37 -0.61 3.56 3.64 -1.03 -2.02 116.57 120.68 1xwt h LYS 222 Ca -0.02 -0.03 -0.07 0.00 -1.27 0.00 0.00 60.65 59.26 1xwt h LYS 222 Cb 1.26 -0.08 -0.02 0.00 -0.41 0.00 0.00 32.23 32.98 1xwt h LYS 222 CO 0.11 0.29 0.12 -0.91 -2.27 0.00 0.00 179.45 176.80 1xwt h ASN 223 N 0.34 0.95 -0.20 4.20 4.21 -1.14 -2.24 115.58 121.70 1xwt h ASN 223 Ca 0.10 -0.25 0.06 0.00 1.21 0.00 0.00 56.30 57.42 1xwt h ASN 223 Cb 0.01 -0.25 -0.06 0.00 -1.12 0.00 0.00 38.32 36.90 1xwt h ASN 223 CO -0.02 0.95 -0.22 0.22 -1.29 0.00 0.00 177.43 177.07 1xwt h TYR 224 N 0.90 -0.58 -0.09 1.19 3.20 -0.91 -1.21 116.97 119.47 1xwt h TYR 224 Ca 0.19 0.03 -0.13 0.00 3.14 0.00 0.00 58.73 61.96 1xwt h TYR 224 Cb 0.39 0.29 -0.01 0.00 1.54 0.00 0.00 36.73 38.93 1xwt h TYR 224 CO 0.03 -0.30 -0.53 -1.49 -1.64 0.00 0.00 178.16 174.23 1xwt h TRP 225 N -0.24 0.30 -0.59 -3.82 4.06 -1.29 -1.41 115.95 112.96 1xwt h TRP 225 Ca 0.12 -0.10 -0.06 0.00 2.06 0.00 0.00 58.89 60.91 1xwt h TRP 225 Cb 0.43 -0.06 -0.03 0.00 -1.00 0.00 0.00 29.16 28.50 1xwt h TRP 225 CO -0.36 0.73 0.14 0.00 -3.56 0.00 0.00 178.44 175.39 1xwt h ARG 226 N 0.19 0.92 -0.46 0.49 -0.00 -1.16 -1.31 114.38 113.05 1xwt h ARG 226 Ca 0.00 -0.20 -0.11 0.00 -0.50 0.00 0.00 59.98 59.17 1xwt h ARG 226 Cb 1.00 -0.13 -0.02 0.00 0.00 0.00 0.00 29.97 30.82 1xwt h ARG 226 CO 0.08 0.83 -0.16 1.96 0.00 0.00 0.00 179.97 182.68 1xwt h GLN 227 N 0.88 0.89 -0.85 0.04 4.20 -0.91 -1.98 115.11 117.40 1xwt h GLN 227 Ca 0.19 -0.34 -0.01 0.00 0.06 0.00 0.00 58.65 58.55 1xwt h GLN 227 Cb 0.32 -0.05 -0.04 0.00 0.30 0.00 0.00 27.48 28.01 1xwt h GLN 227 CO -0.00 0.99 0.50 0.28 -0.67 0.00 0.00 178.83 179.92 1xwt h VAL 228 N 0.79 1.24 -0.04 -0.54 2.07 -0.98 -0.13 116.25 118.66 1xwt h VAL 228 Ca 0.12 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.09 1xwt h VAL 228 Cb 0.70 0.07 -0.00 0.00 -1.52 0.00 0.00 31.29 30.53 1xwt h VAL 228 CO 0.05 0.26 0.03 0.00 0.02 0.00 0.00 177.57 177.93 1xwt h ALA 229 N 1.27 0.05 -0.46 1.67 0.00 -0.93 0.29 119.26 121.15 1xwt h ALA 229 Ca 0.30 -0.01 -0.03 0.00 0.00 0.00 0.00 54.91 55.17 1xwt h ALA 229 Cb -0.02 -0.02 -0.02 0.00 0.00 0.00 0.00 17.79 17.73 1xwt h ALA 229 CO -0.05 -0.44 0.19 1.15 0.00 0.00 0.00 179.25 180.09 1xwt h THR 230 N 0.03 1.20 -0.04 0.00 2.02 -1.12 -1.82 112.91 113.18 1xwt h THR 230 Ca 0.01 -0.62 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1xwt h THR 230 Cb 0.02 0.76 -0.01 0.00 -1.74 0.00 0.00 68.15 67.18 1xwt h THR 230 CO -0.00 0.23 -0.19 0.11 0.37 0.00 0.00 175.52 176.04 1xwt h LYS 231 N 0.59 0.06 -0.14 6.66 1.57 -0.85 -1.34 116.57 123.12 1xwt h LYS 231 Ca 0.15 -0.01 -0.16 0.00 -1.87 0.00 0.00 60.65 58.76 1xwt h LYS 231 Cb 0.18 -0.01 0.01 0.00 0.08 0.00 0.00 32.23 32.49 1xwt h LYS 231 CO -0.01 0.25 -0.55 1.03 -0.57 0.00 0.00 179.45 179.60 1xwt h SER 232 N 0.05 0.72 -0.82 0.86 0.87 -0.55 -0.36 113.55 114.33 1xwt h SER 232 Ca 0.01 -0.62 -0.03 0.00 -1.23 0.00 0.00 61.79 59.92 1xwt h SER 232 Cb 0.37 -0.21 -0.04 0.00 -0.44 0.00 0.00 62.40 62.08 1xwt h SER 232 CO 0.03 1.22 0.39 0.03 -0.53 0.00 0.00 176.83 177.97 1xwt h ARG 233 N 0.27 1.18 -0.55 2.24 3.08 -1.14 -0.74 114.38 118.72 1xwt h ARG 233 Ca -0.03 -0.17 -0.02 0.00 0.07 0.00 0.00 59.98 59.83 1xwt h ARG 233 Cb 1.18 -0.21 -0.03 0.00 0.08 0.00 0.00 29.97 30.99 1xwt h ARG 233 CO 0.11 0.91 0.27 1.15 -1.07 0.00 0.00 179.97 181.34 1xwt h THR 234 N 1.17 1.20 -0.04 2.04 2.02 -1.10 0.80 112.91 119.01 1xwt h THR 234 Ca 0.28 -0.56 0.01 0.00 0.77 0.00 0.00 66.41 66.91 1xwt h THR 234 Cb 0.12 0.56 -0.01 0.00 -1.74 0.00 0.00 68.15 67.08 1xwt h THR 234 CO -0.04 0.23 -0.01 0.25 0.37 0.00 0.00 175.52 176.32 1xwt h LEU 235 N 0.74 -0.05 -0.56 2.58 7.12 -0.70 0.58 115.31 125.03 1xwt h LEU 235 Ca 0.19 0.01 -0.06 0.00 0.13 0.00 0.00 57.88 58.16 1xwt h LEU 235 Cb 0.11 0.03 -0.02 0.00 -0.53 0.00 0.00 40.66 40.25 1xwt h LEU 235 CO -0.02 -0.02 0.13 -0.07 -0.13 0.00 0.00 178.44 178.32 1xwt h LEU 236 N -0.01 0.86 -0.39 2.25 3.38 -0.99 0.38 115.31 120.79 1xwt h LEU 236 Ca 0.02 -0.24 0.03 0.00 0.09 0.00 0.00 57.88 57.79 1xwt h LEU 236 Cb 0.04 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 40.53 1xwt h LEU 236 CO -0.04 0.87 0.18 0.11 0.09 0.00 0.00 178.44 179.65 1xwt h LYS 237 N 0.80 0.36 -0.62 1.13 1.57 -0.63 -0.33 116.57 118.86 1xwt h LYS 237 Ca 0.17 -0.02 -0.08 0.00 -1.87 0.00 0.00 60.65 58.85 1xwt h LYS 237 Cb 0.36 -0.08 -0.02 0.00 0.08 0.00 0.00 32.23 32.56 1xwt h LYS 237 CO 0.00 0.24 0.06 -0.91 -0.57 0.00 0.00 179.45 178.28 1xwt h ASN 238 N 0.38 1.02 -0.44 0.86 2.35 -0.61 -1.11 115.58 118.02 1xwt h ASN 238 Ca 0.17 -0.28 -0.02 0.00 -0.55 0.00 0.00 56.30 55.63 1xwt h ASN 238 Cb 0.10 -0.27 -0.02 0.00 0.05 0.00 0.00 38.32 38.17 1xwt h ASN 238 CO -0.13 1.04 0.22 -0.74 -1.65 0.00 0.00 177.43 176.16 1xwt h HIS 239 N 0.96 0.64 -0.23 1.19 2.76 -0.61 -1.07 115.15 118.79 1xwt h HIS 239 Ca 0.18 -0.03 -0.09 0.00 -2.20 0.00 0.00 60.37 58.23 1xwt h HIS 239 Cb 0.48 -0.20 -0.01 0.00 1.55 0.00 0.00 27.41 29.23 1xwt h HIS 239 CO 0.04 0.51 -0.24 0.74 -1.30 0.00 0.00 177.93 177.68 1xwt h PHE 240 N 0.58 0.48 -0.41 5.26 0.04 -0.93 -0.43 116.94 121.54 1xwt h PHE 240 Ca 0.15 -0.10 -0.01 0.00 2.80 0.00 0.00 57.97 60.82 1xwt h PHE 240 Cb 0.11 -0.12 -0.02 0.00 2.20 0.00 0.00 35.95 38.13 1xwt h PHE 240 CO -0.01 0.64 0.21 1.15 -0.60 0.00 0.00 178.31 179.70 1xwt h THR 241 N 0.38 1.16 0.00 -1.55 2.02 -0.88 -2.54 112.91 111.50 1xwt h THR 241 Ca 0.06 -0.43 -0.08 0.00 0.77 0.00 0.00 66.41 66.72 1xwt h THR 241 Cb 0.64 0.71 -0.01 0.00 -1.74 0.00 0.00 68.15 67.74 1xwt h THR 241 CO 0.05 0.17 -0.40 0.11 0.37 0.00 0.00 175.52 175.82 1xwt h LYS 242 N 0.52 0.00 -0.02 6.66 1.57 -0.51 -2.80 116.57 121.99 1xwt h LYS 242 Ca 0.14 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.92 1xwt h LYS 242 Cb 0.08 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.39 1xwt h LYS 242 CO -0.02 0.40 -0.07 1.33 -0.57 0.00 0.00 179.45 180.52 1xwt n VAL 243 N -3.91 0.00 -2.25 0.50 0.24 -0.23 -4.79 118.33 107.89 1xwt n VAL 243 Ca -0.01 -0.27 -0.41 0.00 -2.04 0.00 0.00 64.34 61.60 1xwt n VAL 243 Cb 0.45 0.69 -0.03 0.00 -1.47 0.00 0.00 33.84 33.48 1xwt n VAL 243 CO 0.00 0.00 0.00 -0.44 -2.14 0.00 0.00 176.83 174.25 1xwt s SER 244 N -2.12 6.94 0.93 -1.34 0.01 -0.96 -0.16 113.70 117.00 1xwt s SER 244 Ca 0.33 2.42 0.00 0.00 1.31 0.00 0.00 55.95 60.01 1xwt s SER 244 Cb 0.20 -2.62 0.00 0.00 0.21 0.00 0.00 66.02 63.81 1xwt s SER 244 CO 0.37 -0.47 0.00 0.61 0.41 0.00 0.00 173.24 174.17 1xwt n GLY 245 N 1.93 0.79 3.77 3.44 0.00 -1.26 -4.68 105.19 109.17 1xwt n GLY 245 Ca 0.04 -0.85 -0.40 0.00 0.00 0.00 0.00 46.02 44.81 1xwt n GLY 245 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1xwt s SER 246 N -4.00 6.49 0.00 1.61 0.15 -1.26 -0.27 113.70 116.42 1xwt s SER 246 Ca 0.00 2.60 0.23 0.00 0.70 0.00 0.00 55.95 59.48 1xwt s SER 246 Cb 0.00 -2.64 0.12 0.00 -1.71 0.00 0.00 66.02 61.80 1xwt s SER 246 CO 0.00 -0.72 1.17 -0.81 1.20 0.00 0.00 173.24 174.08 1xwt n PRO 247 N 0.32 1.06 0.04 5.44 -0.04 -1.26 -4.86 135.00 135.70 1xwt n PRO 247 Ca 0.03 -0.84 0.12 0.00 -0.04 0.00 0.00 63.50 62.76 1xwt n PRO 247 Cb 0.44 -1.48 0.19 0.00 -0.04 0.00 0.00 33.50 32.61 1xwt n PRO 247 CO 0.00 0.00 0.00 0.72 -0.04 0.00 0.00 175.50 176.18 1xwt n HIS 248 N -0.23 0.35 -3.80 0.54 8.25 -1.07 -4.11 115.22 115.15 1xwt n HIS 248 Ca 0.09 0.10 -0.25 0.00 -0.26 0.00 0.00 57.72 57.40 1xwt n HIS 248 Cb 0.44 -0.51 0.03 0.00 1.12 0.00 0.00 29.99 31.06 1xwt n HIS 248 CO 0.00 0.00 0.00 0.91 0.64 0.00 0.00 176.34 177.89 1xwt n TRP 249 N -1.90 -2.07 -1.00 4.41 7.02 0.63 -3.51 117.44 121.03 1xwt n TRP 249 Ca 0.04 0.86 0.00 0.00 -1.02 0.00 0.00 57.50 57.38 1xwt n TRP 249 Cb 0.41 -4.20 0.00 0.00 -2.42 0.00 0.00 31.31 25.10 1xwt n TRP 249 CO 0.00 0.00 0.00 0.09 -2.02 0.00 0.00 177.69 175.76 1xwt n ASN 250 N -2.96 -2.38 -4.61 -0.99 3.02 0.78 -4.84 115.26 103.27 1xwt n ASN 250 Ca -0.16 0.00 -0.34 0.00 -0.03 0.00 0.00 54.58 54.05 1xwt n ASN 250 Cb 0.62 -0.48 -0.11 0.00 -0.61 0.00 0.00 39.78 39.20 1xwt n ASN 250 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1xwt s LEU 251 N 0.00 3.45 0.87 3.41 1.43 -1.23 -3.65 118.68 122.96 1xwt s LEU 251 Ca 0.00 0.03 -0.11 0.00 -1.03 0.00 0.00 54.13 53.02 1xwt s LEU 251 Cb 0.00 -1.80 0.11 0.00 0.03 0.00 0.00 46.19 44.53 1xwt s LEU 251 CO 0.00 0.29 1.09 -2.16 0.23 0.00 0.00 176.35 175.80 1xwt s PRO 252 N -0.37 1.49 0.36 1.29 0.04 -1.26 -4.90 135.00 131.65 1xwt s PRO 252 Ca 0.07 0.86 0.09 0.00 0.04 0.00 0.00 61.00 62.05 1xwt s PRO 252 Cb -0.12 -1.83 -0.06 0.00 0.04 0.00 0.00 34.50 32.52 1xwt s PRO 252 CO 0.02 -2.09 -0.02 0.95 0.04 0.00 0.00 177.00 175.90 1xwt s THR 253 N -2.95 2.28 0.11 1.26 -4.23 -1.26 -4.17 115.64 106.69 1xwt s THR 253 Ca 0.63 -2.06 -0.24 0.00 -1.18 0.00 0.00 61.69 58.84 1xwt s THR 253 Cb -0.17 -2.79 -0.07 0.00 1.34 0.00 0.00 72.50 70.80 1xwt s THR 253 CO 0.57 -0.14 1.68 0.15 -0.54 0.00 0.00 174.62 176.33 1xwt h PHE 254 N 1.86 -0.38 -4.06 3.99 3.57 -0.89 -3.40 116.94 117.64 1xwt h PHE 254 Ca -0.43 0.01 -0.56 0.00 3.53 0.00 0.00 57.97 60.52 1xwt h PHE 254 Cb 1.25 0.17 -0.24 0.00 2.79 0.00 0.00 35.95 39.92 1xwt h PHE 254 CO 0.73 -0.22 -0.83 -0.51 -2.23 0.00 0.00 178.31 175.25 1xwt s LEU 255 N -10.31 2.22 0.02 0.59 1.43 -0.78 -4.01 118.68 107.84 1xwt s LEU 255 Ca -0.15 -0.59 -0.01 0.00 -1.03 0.00 0.00 54.13 52.35 1xwt s LEU 255 Cb 0.08 -0.92 -0.02 0.00 0.03 0.00 0.00 46.19 45.37 1xwt s LEU 255 CO 0.66 0.11 0.00 -0.55 0.23 0.00 0.00 176.35 176.81 1xwt s SER 256 N -1.49 0.21 0.85 2.29 0.15 -0.43 -1.59 113.70 113.69 1xwt s SER 256 Ca 0.07 -0.46 -0.12 0.00 0.70 0.00 0.00 55.95 56.13 1xwt s SER 256 Cb -0.09 0.12 0.10 0.00 -1.71 0.00 0.00 66.02 64.44 1xwt s SER 256 CO 0.03 -0.33 1.15 -0.13 1.20 0.00 0.00 173.24 175.16 1xwt s ARG 257 N -1.54 1.66 0.16 5.44 1.81 0.11 -1.09 118.95 125.50 1xwt s ARG 257 Ca -0.15 0.27 0.21 0.00 -1.72 0.00 0.00 55.73 54.34 1xwt s ARG 257 Cb -0.09 -1.90 0.86 0.00 -0.45 0.00 0.00 34.95 33.37 1xwt s ARG 257 CO -0.01 -1.83 1.64 1.28 -0.68 0.00 0.00 175.30 175.70 1xwt n LEU 258 N -3.51 0.42 -0.63 2.53 4.77 -1.26 -1.43 117.00 117.89 1xwt n LEU 258 Ca 0.07 0.60 0.09 0.00 -0.03 0.00 0.00 56.01 56.74 1xwt n LEU 258 Cb 0.59 -0.53 0.30 0.00 -2.33 0.00 0.00 43.42 41.46 1xwt n LEU 258 CO 0.57 -0.41 0.73 -0.90 -1.33 0.00 0.00 177.39 176.05 1xwt n ASP 259 N -1.96 1.86 0.00 -1.43 5.75 -1.26 -4.88 116.55 114.63 1xwt n ASP 259 Ca 0.03 -1.81 0.00 0.00 -0.01 0.00 0.00 54.79 53.00 1xwt n ASP 259 Cb 0.23 -0.16 0.00 0.00 -1.03 0.00 0.00 41.12 40.16 1xwt n ASP 259 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1xwt n GLY 260 N 1.14 0.90 3.68 6.12 0.00 -0.52 -4.63 105.19 111.89 1xwt n GLY 260 Ca 0.15 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.75 1xwt n GLY 260 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1xwt s SER 261 N -2.92 6.77 0.29 1.61 0.01 -1.26 -4.06 113.70 114.13 1xwt s SER 261 Ca 0.00 2.19 -0.29 0.00 1.31 0.00 0.00 55.95 59.17 1xwt s SER 261 Cb 0.00 -2.56 -0.14 0.00 0.21 0.00 0.00 66.02 63.54 1xwt s SER 261 CO 0.00 -0.79 1.14 -2.65 0.41 0.00 0.00 173.24 171.34 1xwt n PRO 262 N 5.78 1.60 -2.51 12.44 -0.02 -1.26 -0.71 135.00 150.32 1xwt n PRO 262 Ca 0.14 0.56 -0.42 0.00 -2.02 0.00 0.00 63.50 61.77 1xwt n PRO 262 Cb 0.43 -2.03 -0.03 0.00 -0.02 0.00 0.00 33.50 31.85 1xwt n PRO 262 CO 0.00 0.00 0.00 0.08 1.98 0.00 0.00 175.50 177.56 1xwt s VAL 263 N -0.88 4.23 -0.26 -1.45 1.01 -0.62 -4.79 120.40 117.64 1xwt s VAL 263 Ca 0.60 1.65 -0.11 0.00 0.00 0.00 0.00 61.98 64.12 1xwt s VAL 263 Cb -0.68 -4.05 -0.05 0.00 0.00 0.00 0.00 36.38 31.60 1xwt s VAL 263 CO 0.59 0.16 0.17 -0.63 0.00 0.00 0.00 175.10 175.38 1xwt s ILE 264 N 0.82 5.29 0.00 2.22 -1.09 -1.26 -0.92 121.20 126.25 1xwt s ILE 264 Ca 0.55 0.16 0.00 0.00 -2.23 0.00 0.00 60.65 59.13 1xwt s ILE 264 Cb -0.27 -3.49 0.00 0.00 -1.58 0.00 0.00 42.46 37.12 1xwt s ILE 264 CO 0.30 0.30 0.00 0.61 -1.23 0.00 0.00 174.94 174.92 1xwt n GLY 265 N 4.67 -0.55 3.82 6.18 0.00 -1.26 -4.79 105.19 113.24 1xwt n GLY 265 Ca -0.15 -1.11 -0.38 0.00 0.00 0.00 0.00 46.02 44.38 1xwt n GLY 265 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1xwt s TYR 266 N 0.00 3.77 0.00 1.61 2.02 -1.26 -1.36 117.35 122.13 1xwt s TYR 266 Ca 0.00 1.21 0.00 0.00 -0.37 0.00 0.00 57.07 57.91 1xwt s TYR 266 Cb 0.00 -2.45 0.00 0.00 -0.40 0.00 0.00 41.96 39.11 1xwt s TYR 266 CO 0.00 0.57 0.02 0.44 -1.57 0.00 0.00 175.55 175.02 1xwt n ILE 267 N 1.59 0.00 -3.72 2.71 -5.35 -1.26 -5.05 119.36 108.28 1xwt n ILE 267 Ca -0.10 -0.20 -0.14 0.00 -0.27 0.00 0.00 62.75 62.04 1xwt n ILE 267 Cb 0.51 1.07 -0.08 0.00 -1.74 0.00 0.00 39.64 39.40 1xwt n ILE 267 CO 0.00 0.00 0.00 0.72 -1.76 0.00 0.00 176.55 175.51 1xwt s PHE 268 N -0.36 -0.28 0.09 4.28 -0.12 -1.26 -5.11 117.98 115.22 1xwt s PHE 268 Ca 0.00 0.47 -0.31 0.00 -0.05 0.00 0.00 56.93 57.05 1xwt s PHE 268 Cb 0.00 0.15 -0.08 0.00 -0.63 0.00 0.00 43.02 42.46 1xwt s PHE 268 CO 0.00 -0.41 1.56 -0.80 -0.05 0.00 0.00 175.22 175.52 1xwt s ASN 269 N -1.16 6.66 0.00 1.98 0.01 -1.26 -2.38 114.94 118.80 1xwt s ASN 269 Ca -0.12 2.45 0.00 0.00 -0.71 0.00 0.00 52.86 54.48 1xwt s ASN 269 Cb -0.04 -2.57 0.00 0.00 0.41 0.00 0.00 41.25 39.04 1xwt s ASN 269 CO 0.05 -0.81 0.00 0.61 -1.51 0.00 0.00 177.10 175.43 1xwt n GLY 270 N 3.81 0.24 3.73 0.66 0.00 -1.26 -5.07 105.19 107.29 1xwt n GLY 270 Ca 0.14 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.74 1xwt n GLY 270 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 1xwt s GLN 271 N -0.85 4.14 0.15 1.61 0.74 -1.00 -4.92 119.66 119.53 1xwt s GLN 271 Ca 0.00 2.56 -0.00 0.00 0.05 0.00 0.00 55.36 57.97 1xwt s GLN 271 Cb 0.00 -3.07 -0.05 0.00 1.10 0.00 0.00 33.01 31.00 1xwt s GLN 271 CO 0.00 -0.69 1.34 0.00 -0.55 0.00 0.00 175.29 175.40 1xwt h ALA 272 N 6.11 0.45 -2.63 1.58 0.00 -1.98 -3.47 119.26 119.32 1xwt h ALA 272 Ca -0.44 -0.72 -0.07 0.00 0.00 0.00 0.00 54.91 53.68 1xwt h ALA 272 Cb 1.21 -0.05 -0.15 0.00 0.00 0.00 0.00 17.79 18.80 1xwt h ALA 272 CO 0.89 0.88 -0.17 -0.80 0.00 0.00 0.00 179.25 180.05 1xwt s ASN 273 N -6.99 -0.16 0.52 0.00 0.01 -1.26 -5.15 114.94 101.92 1xwt s ASN 273 Ca -0.04 -0.29 -0.22 0.00 -0.71 0.00 0.00 52.86 51.60 1xwt s ASN 273 Cb 0.10 0.42 -0.07 0.00 0.41 0.00 0.00 41.25 42.11 1xwt s ASN 273 CO 0.84 -0.75 1.16 -2.65 -1.51 0.00 0.00 177.10 174.20 1xwt n PRO 274 N 0.10 1.42 0.24 -0.60 -0.02 -1.26 -4.88 135.00 130.00 1xwt n PRO 274 Ca -0.17 0.52 0.09 0.00 -2.02 0.00 0.00 63.50 61.92 1xwt n PRO 274 Cb 0.62 -2.33 0.60 0.00 -0.02 0.00 0.00 33.50 32.37 1xwt n PRO 274 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1xwt h GLY 275 N 1.25 0.00 -0.65 -1.23 0.00 -1.32 -2.81 103.07 98.30 1xwt h GLY 275 Ca -0.49 0.00 0.00 0.00 0.00 0.00 0.00 47.33 46.84 1xwt h GLY 275 CO 0.55 0.00 0.00 0.61 0.00 0.00 0.00 176.54 177.70 1xwt n GLN 276 N -3.88 1.69 -2.29 4.80 0.00 -0.10 -1.87 117.38 115.72 1xwt n GLN 276 Ca -0.02 -1.02 -0.41 0.00 0.00 0.00 0.00 57.00 55.55 1xwt n GLN 276 Cb 0.27 -1.42 -0.03 0.00 0.00 0.00 0.00 30.24 29.06 1xwt n GLN 276 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 177.06 175.48 1xwt s TRP 277 N -1.87 3.33 -0.56 2.61 0.52 -1.06 -4.50 118.94 117.41 1xwt s TRP 277 Ca 0.34 1.37 -0.28 0.00 0.02 0.00 0.00 56.10 57.55 1xwt s TRP 277 Cb 0.19 -3.51 0.03 0.00 -1.15 0.00 0.00 33.47 29.03 1xwt s TRP 277 CO 0.29 -1.48 1.16 -0.47 0.02 0.00 0.00 176.95 176.47 1xwt s TYR 278 N -0.22 2.66 0.00 -1.98 5.04 0.18 -0.85 117.35 122.18 1xwt s TYR 278 Ca 0.53 0.42 0.00 0.00 -2.44 0.00 0.00 57.07 55.58 1xwt s TYR 278 Cb -0.35 -4.46 0.00 0.00 0.35 0.00 0.00 41.96 37.50 1xwt s TYR 278 CO 0.39 -1.51 0.00 -0.85 -1.34 0.00 0.00 175.55 172.24 1xwt n GLU 279 N 8.25 1.09 -0.31 4.97 -0.00 -1.26 -1.43 120.64 131.95 1xwt n GLU 279 Ca 0.08 0.00 -0.03 0.00 -0.00 0.00 0.00 57.16 57.21 1xwt n GLU 279 Cb 0.49 0.00 0.08 0.00 -0.00 0.00 0.00 31.44 32.01 1xwt n GLU 279 CO 0.00 0.00 0.00 0.74 0.00 0.00 0.00 177.13 177.87 1xwt h PHE 280 N 0.00 1.05 -0.15 -1.84 0.04 -1.94 -1.64 116.94 112.46 1xwt h PHE 280 Ca 0.00 0.03 -0.02 0.00 2.80 0.00 0.00 57.97 60.78 1xwt h PHE 280 Cb 0.00 -0.35 -0.01 0.00 2.20 0.00 0.00 35.95 37.79 1xwt h PHE 280 CO 0.00 0.65 0.02 -0.91 -0.60 0.00 0.00 178.31 177.47 1xwt h ASN 281 N 1.12 0.25 0.07 2.17 2.35 -1.97 -3.15 115.58 116.42 1xwt h ASN 281 Ca 0.31 -0.26 -0.00 0.00 -0.55 0.00 0.00 56.30 55.80 1xwt h ASN 281 Cb -0.11 -0.07 -0.00 0.00 0.05 0.00 0.00 38.32 38.20 1xwt h ASN 281 CO -0.07 0.44 -0.02 0.00 -1.65 0.00 0.00 177.43 176.13 1xwt h ALA 282 N 0.81 1.44 -1.02 -0.83 0.00 -1.67 -1.47 119.26 116.52 1xwt h ALA 282 Ca 0.05 -0.02 0.25 0.00 0.00 0.00 0.00 54.91 55.18 1xwt h ALA 282 Cb 0.30 -0.00 -0.10 0.00 0.00 0.00 0.00 17.79 17.99 1xwt h ALA 282 CO 0.00 0.03 0.64 -1.49 0.00 0.00 0.00 179.25 178.43 1xwt h TRP 283 N 0.00 0.78 0.00 0.00 6.55 -1.28 -1.72 115.95 120.28 1xwt h TRP 283 Ca -0.00 0.03 0.00 0.00 0.95 0.00 0.00 58.89 59.87 1xwt h TRP 283 Cb 0.06 -0.23 0.00 0.00 -0.86 0.00 0.00 29.16 28.14 1xwt h TRP 283 CO 0.00 0.10 0.00 0.00 -1.05 0.00 0.00 178.44 177.49 1xwt h ARG 284 N 0.49 0.00 0.33 0.49 3.08 -1.45 -3.36 114.38 113.96 1xwt h ARG 284 Ca 0.59 0.00 -0.01 0.00 0.07 0.00 0.00 59.98 60.63 1xwt h ARG 284 Cb 1.33 0.00 0.00 0.00 0.08 0.00 0.00 29.97 31.39 1xwt h ARG 284 CO -0.33 0.00 -0.17 0.28 -1.07 0.00 0.00 179.97 178.68 1xwt h VAL 285 N 0.00 0.65 0.00 2.04 2.07 -1.48 -0.51 116.25 119.02 1xwt h VAL 285 Ca 0.00 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.49 1xwt h VAL 285 Cb 0.55 0.65 -0.00 0.00 -1.52 0.00 0.00 31.29 30.97 1xwt h VAL 285 CO 0.00 0.00 -0.16 0.16 0.02 0.00 0.00 177.57 177.59 1xwt h ILE 286 N -0.46 0.38 -0.31 4.57 3.07 -1.78 -0.81 117.51 122.18 1xwt h ILE 286 Ca -0.04 -0.95 0.02 0.00 1.55 0.00 0.00 64.86 65.43 1xwt h ILE 286 Cb 0.36 1.71 -0.02 0.00 -0.27 0.00 0.00 36.82 38.59 1xwt h ILE 286 CO 0.07 0.15 0.16 -0.03 -1.05 0.00 0.00 178.15 177.45 1xwt h MET 287 N 0.00 0.32 -0.46 0.16 4.05 -1.57 -1.00 114.93 116.42 1xwt h MET 287 Ca -0.00 -0.02 -0.06 0.00 -0.28 0.00 0.00 59.70 59.34 1xwt h MET 287 Cb 0.69 -0.07 -0.02 0.00 -0.80 0.00 0.00 31.60 31.40 1xwt h MET 287 CO 0.02 0.21 0.05 -0.91 0.23 0.00 0.00 176.91 176.52 1xwt h ASN 288 N 0.33 0.69 -0.52 1.39 2.35 -0.13 -0.74 115.58 118.95 1xwt h ASN 288 Ca 0.13 -0.14 -0.08 0.00 -0.55 0.00 0.00 56.30 55.66 1xwt h ASN 288 Cb 0.03 -0.18 -0.02 0.00 0.05 0.00 0.00 38.32 38.20 1xwt h ASN 288 CO -0.08 0.72 0.00 0.58 -1.65 0.00 0.00 177.43 177.01 1xwt h VAL 289 N 0.70 1.26 -0.36 2.81 2.07 -0.97 -0.47 116.25 121.29 1xwt h VAL 289 Ca 0.15 -1.09 0.00 0.00 0.82 0.00 0.00 66.70 66.58 1xwt h VAL 289 Cb 0.35 0.93 -0.02 0.00 -1.52 0.00 0.00 31.29 31.03 1xwt h VAL 289 CO 0.01 0.39 0.24 1.23 0.02 0.00 0.00 177.57 179.45 1xwt h GLY 290 N 0.79 0.51 0.55 2.17 0.00 -0.82 -0.60 103.07 105.67 1xwt h GLY 290 Ca 0.15 -0.19 0.04 0.00 0.00 0.00 0.00 47.33 47.33 1xwt h GLY 290 CO 0.03 0.19 -0.08 -2.00 0.00 0.00 0.00 176.54 174.67 1xwt h LEU 291 N 0.49 -0.28 -0.70 3.11 6.46 -0.97 -1.06 115.31 122.36 1xwt h LEU 291 Ca 0.13 0.07 -0.03 0.00 -0.12 0.00 0.00 57.88 57.93 1xwt h LEU 291 Cb -0.05 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.01 1xwt h LEU 291 CO -0.03 -0.11 0.32 -0.78 -0.62 0.00 0.00 178.44 177.22 1xwt h ASP 292 N -0.06 0.93 -0.48 1.25 1.82 -0.79 -0.63 116.42 118.45 1xwt h ASP 292 Ca 0.10 -0.14 -0.01 0.00 -0.39 0.00 0.00 57.03 56.58 1xwt h ASP 292 Cb 0.21 -0.24 -0.02 0.00 0.68 0.00 0.00 39.33 39.95 1xwt h ASP 292 CO -0.22 0.81 0.25 0.00 -1.61 0.00 0.00 179.24 178.47 1xwt h ALA 293 N 1.15 0.62 0.06 -0.78 0.00 -0.85 0.78 119.26 120.24 1xwt h ALA 293 Ca 0.24 -0.11 -0.00 0.00 0.00 0.00 0.00 54.91 55.04 1xwt h ALA 293 Cb 0.14 -0.19 0.00 0.00 0.00 0.00 0.00 17.79 17.74 1xwt h ALA 293 CO -0.03 0.17 -0.03 1.25 0.00 0.00 0.00 179.25 180.61 1xwt h HIS 294 N 0.64 -0.08 0.07 0.00 -0.00 -0.90 -0.23 115.15 114.64 1xwt h HIS 294 Ca 0.17 -0.00 -0.27 0.00 -0.00 0.00 0.00 60.37 60.27 1xwt h HIS 294 Cb 0.09 0.03 0.02 0.00 -0.00 0.00 0.00 27.41 27.54 1xwt h HIS 294 CO -0.01 0.13 -1.12 -0.07 -0.00 0.00 0.00 177.93 176.85 1xwt h LEU 295 N -0.28 0.69 -0.77 0.26 -0.00 -1.07 -0.45 115.31 113.69 1xwt h LEU 295 Ca -0.01 -0.62 0.00 0.00 -0.00 0.00 0.00 57.88 57.26 1xwt h LEU 295 Cb 0.24 -0.22 0.00 0.00 -0.00 0.00 0.00 40.66 40.69 1xwt h LEU 295 CO 0.01 1.43 -0.04 0.23 -0.00 0.00 0.00 178.44 180.08 1xwt n MET 296 N -3.74 1.48 0.00 1.13 2.81 0.26 -1.19 117.12 117.86 1xwt n MET 296 Ca -0.10 -0.47 0.00 0.00 -1.81 0.00 0.00 57.70 55.32 1xwt n MET 296 Cb 0.93 -0.92 0.00 0.00 -0.71 0.00 0.00 33.22 32.52 1xwt n MET 296 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1xwt n GLY 297 N 0.44 2.60 3.69 3.03 0.00 -0.11 -3.72 105.19 111.11 1xwt n GLY 297 Ca 0.01 -1.58 -0.40 0.00 0.00 0.00 0.00 46.02 44.06 1xwt n GLY 297 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwt s ALA 298 N -1.12 3.47 0.46 4.61 0.00 -0.42 -4.29 121.76 124.47 1xwt s ALA 298 Ca 0.00 -0.10 0.06 0.00 0.00 0.00 0.00 51.96 51.92 1xwt s ALA 298 Cb 0.00 -2.96 -0.03 0.00 0.00 0.00 0.00 23.12 20.13 1xwt s ALA 298 CO 0.00 -0.37 0.22 -0.65 0.00 0.00 0.00 175.76 174.96 1xwt s GLN 299 N 1.46 2.24 0.28 0.00 -1.52 -1.26 -4.06 119.66 116.80 1xwt s GLN 299 Ca 0.32 -1.94 0.01 0.00 -1.95 0.00 0.00 55.36 51.80 1xwt s GLN 299 Cb -0.16 -1.97 0.52 0.00 -0.22 0.00 0.00 33.01 31.18 1xwt s GLN 299 CO 0.13 -0.27 1.85 0.00 -0.25 0.00 0.00 175.29 176.76 1xwt h ALA 300 N 1.24 1.50 -0.49 6.09 0.00 -2.00 -2.23 119.26 123.37 1xwt h ALA 300 Ca -0.41 0.01 -0.07 0.00 0.00 0.00 0.00 54.91 54.43 1xwt h ALA 300 Cb 1.27 -0.24 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1xwt h ALA 300 CO 0.67 0.29 0.02 0.11 0.00 0.00 0.00 179.25 180.33 1xwt h TRP 301 N 1.04 0.85 -0.43 0.00 5.08 -1.99 -1.42 115.95 119.07 1xwt h TRP 301 Ca 0.47 -0.11 -0.01 0.00 1.08 0.00 0.00 58.89 60.32 1xwt h TRP 301 Cb 0.39 -0.23 -0.02 0.00 -3.00 0.00 0.00 29.16 26.30 1xwt h TRP 301 CO -0.00 0.78 0.24 0.45 -1.28 0.00 0.00 178.44 178.62 1xwt h HIS 302 N 0.75 0.59 -0.35 0.12 3.86 -1.79 -1.44 115.15 116.90 1xwt h HIS 302 Ca 0.15 -0.01 -0.05 0.00 -1.16 0.00 0.00 60.37 59.29 1xwt h HIS 302 Cb 0.43 -0.19 -0.01 0.00 1.06 0.00 0.00 27.41 28.70 1xwt h HIS 302 CO 0.02 0.44 0.02 0.87 0.86 0.00 0.00 177.93 180.14 1xwt h LYS 303 N 0.56 0.60 -0.33 2.45 1.57 -1.31 -2.16 116.57 117.96 1xwt h LYS 303 Ca 0.15 -0.18 -0.02 0.00 -1.87 0.00 0.00 60.65 58.73 1xwt h LYS 303 Cb 0.05 -0.06 -0.01 0.00 0.08 0.00 0.00 32.23 32.28 1xwt h LYS 303 CO -0.03 0.71 0.13 1.03 -0.57 0.00 0.00 179.45 180.73 1xwt h SER 304 N 0.42 0.45 -0.08 0.86 0.87 -1.21 0.09 113.55 114.94 1xwt h SER 304 Ca 0.10 -0.16 0.03 0.00 -1.23 0.00 0.00 61.79 60.53 1xwt h SER 304 Cb 0.43 -0.12 -0.03 0.00 -0.44 0.00 0.00 62.40 62.24 1xwt h SER 304 CO 0.01 0.49 -0.10 0.00 -0.53 0.00 0.00 176.83 176.71 1xwt h ALA 305 N 0.98 -0.04 -0.09 6.23 0.00 -1.12 -1.26 119.26 123.96 1xwt h ALA 305 Ca 0.11 0.03 -0.12 0.00 0.00 0.00 0.00 54.91 54.93 1xwt h ALA 305 Cb 0.18 0.19 0.01 0.00 0.00 0.00 0.00 17.79 18.16 1xwt h ALA 305 CO -0.01 -0.56 -0.41 0.28 0.00 0.00 0.00 179.25 178.54 1xwt h VAL 306 N -0.13 1.39 -0.69 0.00 2.07 -1.35 -2.23 116.25 115.30 1xwt h VAL 306 Ca 0.06 -1.77 0.04 0.00 0.82 0.00 0.00 66.70 65.86 1xwt h VAL 306 Cb 0.22 2.23 -0.05 0.00 -1.52 0.00 0.00 31.29 32.17 1xwt h VAL 306 CO -0.16 0.52 0.42 0.78 0.02 0.00 0.00 177.57 179.16 1xwt h ASN 307 N 0.01 0.68 -0.04 0.57 2.35 -0.93 -0.52 115.58 117.70 1xwt h ASN 307 Ca -0.03 0.01 -0.21 0.00 -0.55 0.00 0.00 56.30 55.52 1xwt h ASN 307 Cb 1.06 -0.13 0.01 0.00 0.05 0.00 0.00 38.32 39.30 1xwt h ASN 307 CO 0.09 0.46 -0.75 0.11 -1.65 0.00 0.00 177.43 175.69 1xwt h LYS 308 N 0.81 0.69 -0.10 0.81 1.57 -1.28 -0.84 116.57 118.23 1xwt h LYS 308 Ca 0.29 -0.55 -0.01 0.00 -1.87 0.00 0.00 60.65 58.50 1xwt h LYS 308 Cb 0.07 0.11 -0.00 0.00 0.08 0.00 0.00 32.23 32.49 1xwt h LYS 308 CO -0.13 1.17 0.01 0.00 -0.57 0.00 0.00 179.45 179.93 1xwt h ALA 309 N 0.68 0.13 -0.48 3.86 0.00 -1.11 -1.20 119.26 121.14 1xwt h ALA 309 Ca -0.04 -0.16 -0.05 0.00 0.00 0.00 0.00 54.91 54.67 1xwt h ALA 309 Cb 1.36 -0.04 -0.02 0.00 0.00 0.00 0.00 17.79 19.09 1xwt h ALA 309 CO 0.15 -0.21 0.11 -0.07 0.00 0.00 0.00 179.25 179.23 1xwt h LEU 310 N -0.07 0.68 -0.76 0.00 3.38 -1.16 -1.71 115.31 115.67 1xwt h LEU 310 Ca 0.03 -0.11 -0.00 0.00 0.09 0.00 0.00 57.88 57.89 1xwt h LEU 310 Cb 0.30 -0.18 -0.04 0.00 0.09 0.00 0.00 40.66 40.84 1xwt h LEU 310 CO 0.00 0.67 0.47 1.23 0.09 0.00 0.00 178.44 180.91 1xwt h GLY 311 N 0.91 1.09 0.92 0.83 0.00 -0.99 -1.08 103.07 104.74 1xwt h GLY 311 Ca 0.16 -0.44 -0.01 0.00 0.00 0.00 0.00 47.33 47.04 1xwt h GLY 311 CO -0.00 0.43 0.10 -2.75 0.00 0.00 0.00 176.54 174.31 1xwt h PHE 312 N 1.04 0.30 -0.78 5.60 3.57 -0.74 -1.79 116.94 124.13 1xwt h PHE 312 Ca 0.27 -0.02 -0.02 0.00 3.53 0.00 0.00 57.97 61.74 1xwt h PHE 312 Cb -0.07 -0.09 -0.04 0.00 2.79 0.00 0.00 35.95 38.54 1xwt h PHE 312 CO -0.01 0.31 0.40 -0.07 -2.23 0.00 0.00 178.31 176.71 1xwt h LEU 313 N 0.20 1.00 -0.33 0.59 3.38 -1.02 0.24 115.31 119.37 1xwt h LEU 313 Ca 0.07 -0.10 -0.01 0.00 0.09 0.00 0.00 57.88 57.94 1xwt h LEU 313 Cb 0.13 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.61 1xwt h LEU 313 CO -0.01 0.82 0.18 -1.28 0.09 0.00 0.00 178.44 178.25 1xwt h SER 314 N 1.10 0.40 -0.41 -0.43 0.87 -1.12 -1.07 113.55 112.90 1xwt h SER 314 Ca 0.27 -0.08 0.01 0.00 -1.23 0.00 0.00 61.79 60.76 1xwt h SER 314 Cb 0.07 -0.10 -0.02 0.00 -0.44 0.00 0.00 62.40 61.91 1xwt h SER 314 CO -0.04 0.37 0.27 0.22 -0.53 0.00 0.00 176.83 177.12 1xwt h TYR 315 N 0.41 0.51 -0.62 2.24 3.20 -0.80 -2.67 116.97 119.24 1xwt h TYR 315 Ca 0.11 0.01 -0.01 0.00 3.14 0.00 0.00 58.73 61.98 1xwt h TYR 315 Cb 0.05 -0.17 -0.03 0.00 1.54 0.00 0.00 36.73 38.12 1xwt h TYR 315 CO -0.03 0.32 0.32 0.00 -1.64 0.00 0.00 178.16 177.13 1xwt h ALA 316 N 1.15 1.41 -0.78 1.82 0.00 -0.27 -1.97 119.26 120.63 1xwt h ALA 316 Ca 0.15 -0.11 -0.02 0.00 0.00 0.00 0.00 54.91 54.94 1xwt h ALA 316 Cb -0.06 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.45 1xwt h ALA 316 CO -0.04 0.48 0.40 -0.22 0.00 0.00 0.00 179.25 179.88 1xwt h LYS 317 N 0.86 1.10 0.00 0.00 3.64 -0.80 -2.31 116.57 119.05 1xwt h LYS 317 Ca 0.22 -0.14 -0.02 0.00 -1.27 0.00 0.00 60.65 59.43 1xwt h LYS 317 Cb 0.05 -0.21 -0.00 0.00 -0.41 0.00 0.00 32.23 31.65 1xwt h LYS 317 CO -0.03 0.83 -0.10 1.79 -2.27 0.00 0.00 179.45 179.67 1xwt h THR 318 N 1.08 0.45 -0.81 1.00 1.35 -1.03 -2.54 112.91 112.42 1xwt h THR 318 Ca 0.27 -0.51 -0.42 0.00 -0.55 0.00 0.00 66.41 65.19 1xwt h THR 318 Cb 0.07 1.35 -0.25 0.00 -1.73 0.00 0.00 68.15 67.59 1xwt h THR 318 CO -0.04 0.10 0.44 0.59 -0.25 0.00 0.00 175.52 176.36 1xwt n ASN 319 N -3.51 3.44 -4.20 5.36 3.02 -0.89 -4.94 115.26 113.53 1xwt n ASN 319 Ca -0.02 -3.67 -0.31 0.00 -0.03 0.00 0.00 54.58 50.56 1xwt n ASN 319 Cb 0.24 -0.78 -0.17 0.00 -0.61 0.00 0.00 39.78 38.46 1xwt n ASN 319 CO 0.00 0.00 0.00 0.21 -2.62 0.00 0.00 177.26 174.85 1xwt s ASN 320 N -1.69 2.85 0.60 6.41 3.84 -0.95 -5.02 114.94 120.98 1xwt s ASN 320 Ca 0.54 -0.50 0.37 0.00 0.21 0.00 0.00 52.86 53.47 1xwt s ASN 320 Cb 0.46 -1.18 1.91 0.00 -0.55 0.00 0.00 41.25 41.89 1xwt s ASN 320 CO 0.07 0.16 2.21 0.77 -2.79 0.00 0.00 177.10 177.52 1xwt h SER 321 N 6.60 0.00 -0.12 -4.21 4.64 -1.91 -1.36 113.55 117.20 1xwt h SER 321 Ca -0.24 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.08 1xwt h SER 321 Cb 1.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.31 1xwt h SER 321 CO 0.47 0.03 0.00 0.29 -0.87 0.00 0.00 176.83 176.75 1xwt n LYS 322 N -3.30 1.95 -3.77 4.77 5.02 -1.26 -4.96 118.16 116.60 1xwt n LYS 322 Ca -0.02 -1.40 -0.24 0.00 -2.02 0.00 0.00 58.31 54.63 1xwt n LYS 322 Cb 0.16 -1.46 0.03 0.00 -0.02 0.00 0.00 35.03 33.74 1xwt n LYS 322 CO 0.00 0.00 0.00 -1.71 -0.52 0.00 0.00 177.40 175.17 1xwt n ASN 323 N 0.66 -2.30 -3.94 4.39 5.15 -0.51 -5.00 115.26 113.71 1xwt n ASN 323 Ca 0.17 -0.81 -0.09 0.00 -0.60 0.00 0.00 54.58 53.25 1xwt n ASN 323 Cb 0.43 -3.98 -0.10 0.00 -0.53 0.00 0.00 39.78 35.60 1xwt n ASN 323 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1xwt s TYR 325 N -2.16 3.37 0.54 0.00 1.13 0.40 -4.24 117.35 116.39 1xwt s TYR 325 Ca -0.09 1.31 0.04 0.00 -1.41 0.00 0.00 57.07 56.92 1xwt s TYR 325 Cb -0.04 -2.61 0.05 0.00 -1.10 0.00 0.00 41.96 38.26 1xwt s TYR 325 CO -0.03 0.01 0.75 -1.21 -2.51 0.00 0.00 175.55 172.57 1xwt s GLU 326 N -3.14 2.44 0.25 -3.49 2.02 -1.26 -1.07 118.70 114.46 1xwt s GLU 326 Ca 0.56 -1.13 0.14 0.00 0.02 0.00 0.00 54.97 54.56 1xwt s GLU 326 Cb -0.10 -2.57 0.05 0.00 0.10 0.00 0.00 34.13 31.61 1xwt s GLU 326 CO 0.18 -0.73 1.43 1.96 0.02 0.00 0.00 175.26 178.12 1xwt h GLN 327 N 0.16 0.00 -3.80 1.61 4.20 -1.38 -3.41 115.11 112.48 1xwt h GLN 327 Ca -0.38 0.00 -0.39 0.00 0.06 0.00 0.00 58.65 57.93 1xwt h GLN 327 Cb 1.29 0.00 -0.35 0.00 0.30 0.00 0.00 27.48 28.71 1xwt h GLN 327 CO 0.46 0.59 -0.76 0.08 -0.67 0.00 0.00 178.83 178.53 1xwt s VAL 328 N -2.95 0.34 0.10 -0.54 1.01 -1.26 -4.43 120.40 112.66 1xwt s VAL 328 Ca 0.03 0.04 0.07 0.00 0.00 0.00 0.00 61.98 62.13 1xwt s VAL 328 Cb 0.08 -0.44 -0.03 0.00 0.00 0.00 0.00 36.38 35.99 1xwt s VAL 328 CO 0.76 0.21 -0.19 -0.31 0.00 0.00 0.00 175.10 175.56 1xwt s TYR 329 N 1.33 1.65 -0.03 5.22 1.51 -0.51 -1.83 117.35 124.67 1xwt s TYR 329 Ca -0.05 -0.43 -0.01 0.00 -1.01 0.00 0.00 57.07 55.57 1xwt s TYR 329 Cb -0.13 -0.90 0.03 0.00 -0.11 0.00 0.00 41.96 40.84 1xwt s TYR 329 CO -0.02 0.17 0.06 0.45 -1.11 0.00 0.00 175.55 175.10 1xwt s SER 330 N -1.90 0.51 -1.37 2.29 0.15 -0.47 -0.64 113.70 112.27 1xwt s SER 330 Ca 0.05 0.09 -0.09 0.00 0.70 0.00 0.00 55.95 56.69 1xwt s SER 330 Cb -0.10 -0.06 0.06 0.00 -1.71 0.00 0.00 66.02 64.21 1xwt s SER 330 CO 0.04 -0.18 0.57 -1.22 1.20 0.00 0.00 173.24 173.64 1xwt n TYR 331 N 4.69 -1.87 -0.99 3.44 4.01 -1.26 -1.05 117.16 124.12 1xwt n TYR 331 Ca -0.17 0.53 0.00 0.00 -0.16 0.00 0.00 57.90 58.10 1xwt n TYR 331 Cb 0.50 -3.33 0.00 0.00 -0.31 0.00 0.00 39.34 36.21 1xwt n TYR 331 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81 1xwt n GLY 332 N -1.29 0.78 3.57 2.72 0.00 -1.26 -4.79 105.19 104.92 1xwt n GLY 332 Ca -0.02 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.66 1xwt n GLY 332 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1xwt s GLY 333 N -2.00 1.78 0.28 -0.02 0.00 -0.22 -5.08 107.32 102.07 1xwt s GLY 333 Ca 0.00 -0.80 -0.30 0.00 0.00 0.00 0.00 44.72 43.62 1xwt s GLY 333 CO 0.00 -0.18 1.46 0.00 0.00 0.00 0.00 173.10 174.38 1xwt s ALA 334 N 0.03 3.63 -1.40 3.20 0.00 -1.26 -1.36 121.76 124.60 1xwt s ALA 334 Ca 0.02 1.39 0.19 0.00 0.00 0.00 0.00 51.96 53.56 1xwt s ALA 334 Cb -0.13 -3.57 0.61 0.00 0.00 0.00 0.00 23.12 20.03 1xwt s ALA 334 CO 0.02 -0.81 1.52 1.04 0.00 0.00 0.00 175.76 177.53 1xwt n GLN 335 N 1.95 3.13 -3.61 0.00 1.13 -0.76 -4.92 117.38 114.30 1xwt n GLN 335 Ca 0.06 -2.65 -0.25 0.00 -1.94 0.00 0.00 57.00 52.22 1xwt n GLN 335 Cb 0.40 -1.65 0.07 0.00 0.11 0.00 0.00 30.24 29.17 1xwt n GLN 335 CO 0.00 0.00 0.00 -1.71 -1.44 0.00 0.00 177.06 173.91 1xwt n ASN 336 N 1.17 -6.13 -1.51 1.08 5.15 -1.26 -4.92 115.26 108.83 1xwt n ASN 336 Ca 0.23 -0.56 -0.07 0.00 -0.60 0.00 0.00 54.58 53.57 1xwt n ASN 336 Cb 0.70 -4.84 0.22 0.00 -0.53 0.00 0.00 39.78 35.33 1xwt n ASN 336 CO 0.00 0.00 0.00 0.54 1.40 0.00 0.00 177.26 179.20 1xwt n ARG 337 N -4.90 2.44 0.00 1.20 5.12 -1.26 -5.06 116.66 114.20 1xwt n ARG 337 Ca 0.01 -3.08 0.00 0.00 -1.93 0.00 0.00 57.85 52.85 1xwt n ARG 337 Cb 0.56 -1.98 0.00 0.00 -1.16 0.00 0.00 32.46 29.88 1xwt n ARG 337 CO 0.00 0.00 0.00 0.41 -1.93 0.00 0.00 177.63 176.11 1xwt n GLY 338 N -0.87 1.58 3.74 -0.13 0.00 -1.26 -4.55 105.19 103.70 1xwt n GLY 338 Ca 0.39 -1.74 -0.36 0.00 0.00 0.00 0.00 46.02 44.31 1xwt n GLY 338 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1xwt n ALA 340 N -1.90 -0.08 -2.30 0.00 0.00 -0.23 -4.58 120.51 111.41 1xwt n ALA 340 Ca 0.15 0.47 0.00 0.00 0.00 0.00 0.00 53.44 54.06 1xwt n ALA 340 Cb 0.49 -2.15 0.00 0.00 0.00 0.00 0.00 19.45 17.79 1xwt n ALA 340 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1xwt n GLY 341 N 2.47 1.70 0.28 0.00 0.00 -1.26 -4.92 105.19 103.46 1xwt n GLY 341 Ca 0.16 -2.04 -0.09 0.00 0.00 0.00 0.00 46.02 44.05 1xwt n GLY 341 CO 0.00 0.00 0.00 0.83 0.00 0.00 0.00 173.32 174.15 1xwt h GLU 342 N 0.00 0.87 -0.40 1.61 3.07 -1.94 -2.56 114.58 115.24 1xwt h GLU 342 Ca 0.00 -0.34 -0.11 0.00 -0.50 0.00 0.00 59.36 58.41 1xwt h GLU 342 Cb 0.00 -0.04 -0.02 0.00 -0.84 0.00 0.00 28.75 27.85 1xwt h GLU 342 CO 0.00 0.99 -0.19 0.78 -1.40 0.00 0.00 179.01 179.19 1xwt h GLY 343 N 0.94 0.82 0.93 -3.84 0.00 -1.86 0.46 103.07 100.53 1xwt h GLY 343 Ca 0.11 -0.67 -0.11 0.00 0.00 0.00 0.00 47.33 46.66 1xwt h GLY 343 CO 0.06 0.62 -0.26 -1.61 0.00 0.00 0.00 176.54 175.34 1xwt h GLN 344 N 0.67 0.64 -0.66 4.80 4.15 -1.89 -1.03 115.11 121.79 1xwt h GLN 344 Ca 0.10 -0.34 0.00 0.00 0.77 0.00 0.00 58.65 59.18 1xwt h GLN 344 Cb 0.68 0.01 -0.03 0.00 0.21 0.00 0.00 27.48 28.35 1xwt h GLN 344 CO 0.05 0.94 0.41 0.87 -1.93 0.00 0.00 178.83 179.18 1xwt h LYS 345 N 0.36 0.87 -0.09 1.69 1.57 -1.35 -1.67 116.57 117.95 1xwt h LYS 345 Ca 0.04 -0.06 -0.01 0.00 -1.87 0.00 0.00 60.65 58.75 1xwt h LYS 345 Cb 0.82 -0.19 -0.00 0.00 0.08 0.00 0.00 32.23 32.93 1xwt h LYS 345 CO 0.06 0.60 0.01 0.00 -0.57 0.00 0.00 179.45 179.55 1xwt h ALA 346 N 1.56 0.12 -0.66 3.86 0.00 -0.64 -1.63 119.26 121.87 1xwt h ALA 346 Ca 0.24 -0.15 0.05 0.00 0.00 0.00 0.00 54.91 55.05 1xwt h ALA 346 Cb -0.07 -0.04 -0.05 0.00 0.00 0.00 0.00 17.79 17.63 1xwt h ALA 346 CO -0.05 -0.23 0.37 0.00 0.00 0.00 0.00 179.25 179.35 1xwt h ALA 347 N 0.78 0.89 0.00 0.00 0.00 -0.96 -2.43 119.26 117.54 1xwt h ALA 347 Ca 0.03 0.01 -0.08 0.00 0.00 0.00 0.00 54.91 54.87 1xwt h ALA 347 Cb 0.29 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.93 1xwt h ALA 347 CO 0.00 0.06 -0.40 -0.91 0.00 0.00 0.00 179.25 178.00 1xwt h ASN 348 N 0.70 0.00 -0.50 0.00 2.35 -1.19 -2.35 115.58 114.58 1xwt h ASN 348 Ca 0.29 0.00 -0.11 0.00 -0.55 0.00 0.00 56.30 55.93 1xwt h ASN 348 Cb 0.16 0.00 -0.02 0.00 0.05 0.00 0.00 38.32 38.52 1xwt h ASN 348 CO -0.17 0.40 -0.11 0.00 -1.65 0.00 0.00 177.43 175.89 1xwt h ALA 349 N 1.60 0.81 -0.38 -0.83 0.00 -0.84 -2.96 119.26 116.66 1xwt h ALA 349 Ca -0.00 -0.35 -0.08 0.00 0.00 0.00 0.00 54.91 54.48 1xwt h ALA 349 Cb 0.73 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.31 1xwt h ALA 349 CO 0.05 0.66 -0.10 0.28 0.00 0.00 0.00 179.25 180.15 1xwt h VAL 350 N 0.88 1.24 -0.47 0.00 2.07 -1.14 -2.44 116.25 116.39 1xwt h VAL 350 Ca 0.14 -1.08 0.14 0.00 0.82 0.00 0.00 66.70 66.71 1xwt h VAL 350 Cb 0.67 1.06 -0.02 0.00 -1.52 0.00 0.00 31.29 31.48 1xwt h VAL 350 CO 0.05 0.36 0.41 0.00 0.02 0.00 0.00 177.57 178.41 1xwt h ALA 351 N 1.29 2.30 0.00 1.67 0.00 -1.26 -1.99 119.26 121.28 1xwt h ALA 351 Ca 0.11 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.00 1xwt h ALA 351 Cb 0.53 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.35 1xwt h ALA 351 CO 0.03 -0.65 0.00 -0.07 0.00 0.00 0.00 179.25 178.56 1xwt h LEU 352 N 0.00 0.00 -0.68 0.00 3.38 -1.44 -0.81 115.31 115.77 1xwt h LEU 352 Ca 0.23 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.20 1xwt h LEU 352 Cb 1.03 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.78 1xwt h LEU 352 CO -0.00 0.00 0.00 0.18 0.09 0.00 0.00 178.44 178.71 1xwt n LEU 353 N -3.05 0.30 -0.26 1.67 4.77 -0.75 -1.58 117.00 118.10 1xwt n LEU 353 Ca -0.03 0.63 0.03 0.00 -0.03 0.00 0.00 56.01 56.61 1xwt n LEU 353 Cb 0.07 -0.65 0.03 0.00 -2.33 0.00 0.00 43.42 40.54 1xwt n LEU 353 CO 0.20 -0.68 0.36 0.00 -1.33 0.00 0.00 177.39 175.93 1xwt n ALA 354 N -1.64 2.47 -1.80 -1.18 0.00 -0.31 -4.50 120.51 113.55 1xwt n ALA 354 Ca -0.00 -0.58 -0.35 0.00 0.00 0.00 0.00 53.44 52.51 1xwt n ALA 354 Cb 0.05 -0.22 -0.06 0.00 0.00 0.00 0.00 19.45 19.22 1xwt n ALA 354 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1xwt s SER 355 N -0.55 6.91 -0.08 0.00 0.15 -0.62 -3.99 113.70 115.51 1xwt s SER 355 Ca 0.08 1.84 0.12 0.00 0.70 0.00 0.00 55.95 58.68 1xwt s SER 355 Cb 0.05 -2.56 0.25 0.00 -1.71 0.00 0.00 66.02 62.05 1xwt s SER 355 CO 0.08 -0.38 1.17 0.35 1.20 0.00 0.00 173.24 175.66 1xwt n THR 356 N -0.27 1.57 -3.96 6.45 -2.24 -1.26 -4.69 114.28 109.87 1xwt n THR 356 Ca 0.06 -1.63 -0.33 0.00 -2.27 0.00 0.00 64.05 59.87 1xwt n THR 356 Cb 0.52 0.09 -0.14 0.00 -2.10 0.00 0.00 70.33 68.69 1xwt n THR 356 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1xwt s ASN 357 N -1.87 4.80 0.29 3.42 3.84 -1.26 -4.87 114.94 119.30 1xwt s ASN 357 Ca 0.23 -1.73 -0.00 0.00 0.21 0.00 0.00 52.86 51.57 1xwt s ASN 357 Cb 0.18 -1.66 0.44 0.00 -0.55 0.00 0.00 41.25 39.66 1xwt s ASN 357 CO 0.05 -0.33 1.85 0.00 -2.79 0.00 0.00 177.10 175.88 1xwt h ALA 358 N 7.82 1.26 -0.25 1.71 0.00 -1.94 -1.19 119.26 126.67 1xwt h ALA 358 Ca -0.14 -0.19 0.03 0.00 0.00 0.00 0.00 54.91 54.62 1xwt h ALA 358 Cb 1.04 -0.22 -0.03 0.00 0.00 0.00 0.00 17.79 18.58 1xwt h ALA 358 CO 0.54 0.52 0.05 0.78 0.00 0.00 0.00 179.25 181.14 1xwt h GLY 359 N 0.95 0.28 0.56 0.00 0.00 -1.99 -0.54 103.07 102.33 1xwt h GLY 359 Ca 0.18 -0.02 0.06 0.00 0.00 0.00 0.00 47.33 47.54 1xwt h GLY 359 CO -0.01 -0.01 0.08 1.46 0.00 0.00 0.00 176.54 178.07 1xwt h GLN 360 N 0.15 0.20 -0.38 4.80 4.20 -1.92 -2.35 115.11 119.82 1xwt h GLN 360 Ca 0.12 -0.01 0.01 0.00 0.06 0.00 0.00 58.65 58.83 1xwt h GLN 360 Cb 0.12 -0.05 -0.02 0.00 0.30 0.00 0.00 27.48 27.83 1xwt h GLN 360 CO -0.15 0.13 0.23 0.00 -0.67 0.00 0.00 178.83 178.37 1xwt h ALA 361 N 1.28 0.48 -0.21 3.87 0.00 -0.95 -0.42 119.26 123.32 1xwt h ALA 361 Ca 0.18 -0.01 0.05 0.00 0.00 0.00 0.00 54.91 55.13 1xwt h ALA 361 Cb 0.20 -0.12 -0.05 0.00 0.00 0.00 0.00 17.79 17.82 1xwt h ALA 361 CO -0.23 -0.10 -0.12 -0.97 0.00 0.00 0.00 179.25 177.83 1xwt h ASN 362 N 0.47 -0.40 0.76 0.00 -0.73 -0.93 0.18 115.58 114.93 1xwt h ASN 362 Ca 0.15 0.09 -0.04 0.00 1.87 0.00 0.00 56.30 58.37 1xwt h ASN 362 Cb -0.02 0.21 0.01 0.00 0.27 0.00 0.00 38.32 38.79 1xwt h ASN 362 CO -0.06 -0.16 -0.36 -0.33 -0.37 0.00 0.00 177.43 176.15 1xwt h GLU 363 N -0.11 -0.98 -0.45 6.67 4.39 -1.07 -1.79 114.58 121.25 1xwt h GLU 363 Ca 0.12 0.07 -0.11 0.00 0.34 0.00 0.00 59.36 59.78 1xwt h GLU 363 Cb 0.28 0.22 -0.02 0.00 -0.10 0.00 0.00 28.75 29.14 1xwt h GLU 363 CO -0.28 -0.63 -0.14 0.74 -1.16 0.00 0.00 179.01 177.54 1xwt h PHE 364 N -1.12 0.94 -0.28 4.33 0.04 -1.07 -2.18 116.94 117.60 1xwt h PHE 364 Ca -0.10 -0.19 -0.09 0.00 2.80 0.00 0.00 57.97 60.38 1xwt h PHE 364 Cb 0.80 -0.23 -0.01 0.00 2.20 0.00 0.00 35.95 38.71 1xwt h PHE 364 CO -0.01 0.93 -0.18 0.35 -0.60 0.00 0.00 178.31 178.80 1xwt h PHE 365 N 0.75 0.72 -0.26 -0.55 3.57 -0.66 -2.79 116.94 117.73 1xwt h PHE 365 Ca 0.12 -0.19 -0.09 0.00 3.53 0.00 0.00 57.97 61.34 1xwt h PHE 365 Cb 0.66 -0.16 -0.01 0.00 2.79 0.00 0.00 35.95 39.22 1xwt h PHE 365 CO 0.04 0.88 -0.21 -0.91 -2.23 0.00 0.00 178.31 175.88 1xwt h ASN 366 N 0.36 0.46 -0.07 0.41 2.35 -1.27 -0.06 115.58 117.75 1xwt h ASN 366 Ca 0.06 -0.14 -0.03 0.00 -0.55 0.00 0.00 56.30 55.63 1xwt h ASN 366 Cb 0.72 -0.13 -0.01 0.00 0.05 0.00 0.00 38.32 38.95 1xwt h ASN 366 CO 0.05 0.68 -0.04 -0.08 -1.65 0.00 0.00 177.43 176.40 1xwt h GLU 367 N 0.42 0.28 0.02 0.81 4.57 -1.34 -1.35 114.58 117.99 1xwt h GLU 367 Ca 0.07 -0.05 -0.09 0.00 -1.18 0.00 0.00 59.36 58.11 1xwt h GLU 367 Cb 0.60 -0.05 0.01 0.00 -0.16 0.00 0.00 28.75 29.15 1xwt h GLU 367 CO 0.04 0.34 -0.35 0.35 -1.18 0.00 0.00 179.01 178.21 1xwt h PHE 368 N 0.28 0.31 0.00 0.92 3.57 -1.14 -3.36 116.94 117.51 1xwt h PHE 368 Ca 0.06 -0.18 -0.03 0.00 3.53 0.00 0.00 57.97 61.35 1xwt h PHE 368 Cb 0.25 -0.03 -0.00 0.00 2.79 0.00 0.00 35.95 38.95 1xwt h PHE 368 CO 0.00 1.03 -0.15 2.35 -2.23 0.00 0.00 178.31 179.32 1xwt h TRP 369 N -0.50 0.00 0.00 0.41 2.91 -0.84 -2.56 115.95 115.38 1xwt h TRP 369 Ca -0.05 0.00 0.00 0.00 1.13 0.00 0.00 58.89 59.97 1xwt h TRP 369 Cb 1.14 0.00 0.00 0.00 -0.51 0.00 0.00 29.16 29.79 1xwt h TRP 369 CO 0.19 0.15 -0.06 0.43 -1.03 0.00 0.00 178.44 178.12 1xwt n SER 370 N -3.40 0.40 -4.77 2.65 7.64 -0.53 -4.89 113.62 110.72 1xwt n SER 370 Ca -0.00 0.47 -0.36 0.00 1.01 0.00 0.00 58.87 59.98 1xwt n SER 370 Cb 0.34 -0.54 -0.01 0.00 -1.01 0.00 0.00 64.21 62.98 1xwt n SER 370 CO 0.00 0.00 0.00 -0.76 -3.01 0.00 0.00 175.04 171.27 1xwt s LEU 371 N -3.69 3.94 0.46 -3.43 1.43 -0.97 -5.04 118.68 111.39 1xwt s LEU 371 Ca 0.12 2.22 -0.20 0.00 -1.03 0.00 0.00 54.13 55.25 1xwt s LEU 371 Cb 0.16 -4.35 -0.10 0.00 0.03 0.00 0.00 46.19 41.93 1xwt s LEU 371 CO 0.58 -0.95 0.97 -0.44 0.23 0.00 0.00 176.35 176.74 1xwt s SER 372 N -1.53 6.77 0.30 2.29 0.01 -1.26 -5.03 113.70 115.25 1xwt s SER 372 Ca 0.66 1.68 -0.30 0.00 1.31 0.00 0.00 55.95 59.30 1xwt s SER 372 Cb -0.26 -2.53 -0.12 0.00 0.21 0.00 0.00 66.02 63.32 1xwt s SER 372 CO 0.31 -0.48 1.52 1.67 0.41 0.00 0.00 173.24 176.67 1xwt n GLN 373 N -0.96 2.53 -1.66 12.44 7.27 -1.26 -4.89 117.38 130.86 1xwt n GLN 373 Ca 0.07 0.90 -0.44 0.00 0.07 0.00 0.00 57.00 57.60 1xwt n GLN 373 Cb 0.54 -2.64 -0.02 0.00 2.41 0.00 0.00 30.24 30.53 1xwt n GLN 373 CO 0.00 0.00 0.00 -2.30 0.07 0.00 0.00 177.06 174.83 1xwt n PRO 374 N 1.77 1.86 -4.39 3.69 -0.02 -1.26 -4.97 135.00 131.68 1xwt n PRO 374 Ca 0.08 0.66 -0.21 0.00 -2.02 0.00 0.00 63.50 62.00 1xwt n PRO 374 Cb 0.36 -2.21 -0.09 0.00 -0.02 0.00 0.00 33.50 31.54 1xwt n PRO 374 CO 0.00 0.00 0.00 0.95 1.98 0.00 0.00 175.50 178.43 1xwt s THR 375 N -0.66 0.47 0.00 3.45 -4.23 -1.26 -4.38 115.64 109.02 1xwt s THR 375 Ca 0.62 -2.00 0.00 0.00 -1.18 0.00 0.00 61.69 59.13 1xwt s THR 375 Cb -0.65 -2.49 0.00 0.00 1.34 0.00 0.00 72.50 70.70 1xwt s THR 375 CO 0.57 0.00 0.00 0.61 -0.54 0.00 0.00 174.62 175.26 1xwt n GLY 376 N -0.68 -1.51 0.18 3.99 0.00 -1.25 -4.26 105.19 101.66 1xwt n GLY 376 Ca -0.01 -1.30 0.14 0.00 0.00 0.00 0.00 46.02 44.85 1xwt n GLY 376 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1xwt h ASP 377 N 0.00 0.00 -0.41 1.61 3.32 -1.97 -2.92 116.42 116.06 1xwt h ASP 377 Ca 0.00 0.00 0.00 0.00 0.02 0.00 0.00 57.03 57.05 1xwt h ASP 377 Cb 0.00 0.00 0.00 0.00 0.22 0.00 0.00 39.33 39.55 1xwt h ASP 377 CO 0.00 0.00 0.00 -1.22 -1.72 0.00 0.00 179.24 176.30 1xwt n TYR 378 N -2.61 1.10 0.70 4.55 4.01 -1.26 -4.47 117.16 119.18 1xwt n TYR 378 Ca 0.03 -0.71 0.13 0.00 -0.16 0.00 0.00 57.90 57.18 1xwt n TYR 378 Cb 0.34 -0.26 0.47 0.00 -0.31 0.00 0.00 39.34 39.58 1xwt n TYR 378 CO 0.00 0.00 0.00 2.89 -0.46 0.00 0.00 176.86 179.29 1xwt n ARG 379 N 0.24 0.17 0.33 -0.72 1.85 -1.10 -3.47 116.66 113.95 1xwt n ARG 379 Ca 0.21 0.18 -0.17 0.00 -1.00 0.00 0.00 57.85 57.07 1xwt n ARG 379 Cb 0.82 -1.72 -0.09 0.00 -1.05 0.00 0.00 32.46 30.43 1xwt n ARG 379 CO 0.00 0.00 0.00 -0.92 -0.01 0.00 0.00 177.63 176.70 1xwt h TYR 380 N 0.00 -0.99 0.17 2.89 3.20 -1.84 0.39 116.97 120.78 1xwt h TYR 380 Ca 0.00 -0.01 -0.23 0.00 3.14 0.00 0.00 58.73 61.64 1xwt h TYR 380 Cb 0.61 0.36 0.02 0.00 1.54 0.00 0.00 36.73 39.27 1xwt h TYR 380 CO 0.00 -0.56 -1.01 -0.92 -1.64 0.00 0.00 178.16 174.03 1xwt h TYR 381 N -0.91 0.64 -0.36 -3.82 3.20 -1.93 -1.77 116.97 112.02 1xwt h TYR 381 Ca -0.07 -0.46 0.02 0.00 3.14 0.00 0.00 58.73 61.36 1xwt h TYR 381 Cb 0.74 -0.03 -0.03 0.00 1.54 0.00 0.00 36.73 38.96 1xwt h TYR 381 CO -0.11 1.39 0.20 -0.91 -1.64 0.00 0.00 178.16 177.08 1xwt h ASN 382 N -0.25 0.32 0.04 -2.11 2.35 -1.64 -2.21 115.58 112.07 1xwt h ASN 382 Ca -0.18 0.01 -0.15 0.00 -0.55 0.00 0.00 56.30 55.43 1xwt h ASN 382 Cb 1.77 -0.06 -0.01 0.00 0.05 0.00 0.00 38.32 40.07 1xwt h ASN 382 CO 0.17 0.23 -0.50 1.23 -1.65 0.00 0.00 177.43 176.91 1xwt h GLY 383 N 0.41 0.57 0.88 2.83 0.00 -0.28 -1.11 103.07 106.37 1xwt h GLY 383 Ca 0.14 -0.63 -0.01 0.00 0.00 0.00 0.00 47.33 46.84 1xwt h GLY 383 CO -0.08 0.56 0.06 1.76 0.00 0.00 0.00 176.54 178.85 1xwt h SER 384 N 0.41 0.21 -0.27 0.19 0.02 -1.21 -1.61 113.55 111.29 1xwt h SER 384 Ca 0.02 -0.16 -0.10 0.00 -0.84 0.00 0.00 61.79 60.72 1xwt h SER 384 Cb 1.02 -0.06 -0.02 0.00 0.14 0.00 0.00 62.40 63.49 1xwt h SER 384 CO 0.09 0.31 -0.15 -0.07 -1.14 0.00 0.00 176.83 175.87 1xwt h LEU 385 N 0.10 0.70 -0.54 5.07 3.38 -1.38 -2.59 115.31 120.04 1xwt h LEU 385 Ca 0.05 -0.22 0.02 0.00 0.09 0.00 0.00 57.88 57.82 1xwt h LEU 385 Cb 0.16 -0.19 -0.03 0.00 0.09 0.00 0.00 40.66 40.69 1xwt h LEU 385 CO -0.00 0.87 0.34 0.22 0.09 0.00 0.00 178.44 179.95 1xwt h TYR 386 N 0.64 0.63 0.19 1.13 5.03 -1.06 -0.57 116.97 122.96 1xwt h TYR 386 Ca 0.10 0.02 -0.01 0.00 2.58 0.00 0.00 58.73 61.42 1xwt h TYR 386 Cb 0.62 -0.21 0.00 0.00 1.55 0.00 0.00 36.73 38.69 1xwt h TYR 386 CO 0.03 0.37 -0.09 1.98 -1.32 0.00 0.00 178.16 179.12 1xwt h MET 387 N 0.67 -0.25 -0.63 1.82 4.05 -1.17 -0.93 114.93 118.48 1xwt h MET 387 Ca 0.21 0.02 0.05 0.00 -0.28 0.00 0.00 59.70 59.70 1xwt h MET 387 Cb -0.01 0.06 -0.05 0.00 -0.80 0.00 0.00 31.60 30.80 1xwt h MET 387 CO -0.08 -0.17 0.36 -0.07 0.23 0.00 0.00 176.91 177.18 1xwt h LEU 388 N -0.26 0.56 -0.74 3.39 3.38 -1.25 -2.60 115.31 117.78 1xwt h LEU 388 Ca -0.03 0.02 -0.05 0.00 0.09 0.00 0.00 57.88 57.92 1xwt h LEU 388 Cb 0.20 -0.09 -0.03 0.00 0.09 0.00 0.00 40.66 40.83 1xwt h LEU 388 CO 0.04 0.37 0.29 0.00 0.09 0.00 0.00 178.44 179.23 1xwt h ALA 389 N 1.31 0.97 -0.91 1.53 0.00 -0.93 -1.33 119.26 119.90 1xwt h ALA 389 Ca 0.27 -0.19 0.08 0.00 0.00 0.00 0.00 54.91 55.07 1xwt h ALA 389 Cb 0.12 -0.29 -0.06 0.00 0.00 0.00 0.00 17.79 17.56 1xwt h ALA 389 CO -0.15 0.60 0.59 0.52 0.00 0.00 0.00 179.25 180.80 1xwt h MET 390 N 1.07 0.94 -0.20 0.00 2.86 -0.81 -0.54 114.93 118.25 1xwt h MET 390 Ca 0.25 -0.06 -0.05 0.00 -2.06 0.00 0.00 59.70 57.78 1xwt h MET 390 Cb 0.23 -0.21 -0.01 0.00 0.06 0.00 0.00 31.60 31.67 1xwt h MET 390 CO -0.02 0.62 -0.06 -0.07 1.06 0.00 0.00 176.91 178.44 1xwt h LEU 391 N 0.97 0.40 -1.39 1.22 3.38 -1.09 -3.12 115.31 115.68 1xwt h LEU 391 Ca 0.41 -0.38 -0.06 0.00 0.09 0.00 0.00 57.88 57.93 1xwt h LEU 391 Cb 0.30 -0.11 -0.01 0.00 0.09 0.00 0.00 40.66 40.93 1xwt h LEU 391 CO -0.17 0.69 -0.31 0.45 0.09 0.00 0.00 178.44 179.20 1xwt h HIS 392 N 0.11 0.00 -0.06 1.13 3.86 -0.52 -1.74 115.15 117.92 1xwt h HIS 392 Ca 0.05 0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.26 1xwt h HIS 392 Cb 0.52 0.00 0.00 0.00 1.06 0.00 0.00 27.41 28.99 1xwt h HIS 392 CO 0.06 0.31 0.00 1.33 0.86 0.00 0.00 177.93 180.48 1xwt n VAL 393 N -4.03 0.06 -0.09 2.45 0.24 -0.28 -4.05 118.33 112.63 1xwt n VAL 393 Ca -0.02 -0.40 0.02 0.00 -2.04 0.00 0.00 64.34 61.90 1xwt n VAL 393 Cb 0.36 0.93 0.06 0.00 -1.47 0.00 0.00 33.84 33.73 1xwt n VAL 393 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1xwt n SER 394 N 0.77 2.35 -0.45 -1.34 3.41 -1.13 -0.89 113.62 116.33 1xwt n SER 394 Ca 0.17 -2.02 -0.06 0.00 -0.26 0.00 0.00 58.87 56.69 1xwt n SER 394 Cb 0.47 -0.09 -0.03 0.00 -0.26 0.00 0.00 64.21 64.30 1xwt n SER 394 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 1xwt n GLY 395 N -0.15 0.82 0.37 5.00 0.00 -1.20 -4.83 105.19 105.21 1xwt n GLY 395 Ca 0.05 -0.61 0.10 0.00 0.00 0.00 0.00 46.02 45.55 1xwt n GLY 395 CO 0.00 0.00 0.00 0.70 0.00 0.00 0.00 173.32 174.02 1xwt n ASN 396 N 0.67 1.74 -4.38 1.61 4.13 -0.67 -4.77 115.26 113.59 1xwt n ASN 396 Ca -0.06 -1.37 -0.45 0.00 1.68 0.00 0.00 54.58 54.38 1xwt n ASN 396 Cb 0.22 0.59 -0.04 0.00 -1.54 0.00 0.00 39.78 39.01 1xwt n ASN 396 CO 0.00 0.00 0.00 0.12 0.28 0.00 0.00 177.26 177.66 1xwt s PHE 397 N -2.49 3.06 0.20 3.10 2.19 -1.12 -4.83 117.98 118.08 1xwt s PHE 397 Ca 0.15 -1.08 0.09 0.00 0.33 0.00 0.00 56.93 56.43 1xwt s PHE 397 Cb 0.17 -4.03 -0.04 0.00 -1.31 0.00 0.00 43.02 37.81 1xwt s PHE 397 CO 0.61 -1.29 -0.18 0.15 1.83 0.00 0.00 175.22 176.33 1xwt s LYS 398 N 2.50 1.40 -0.25 10.12 1.02 -1.26 -4.97 119.74 128.29 1xwt s LYS 398 Ca 0.14 -1.54 -0.11 0.00 0.02 0.00 0.00 55.97 54.48 1xwt s LYS 398 Cb -0.21 -1.43 -0.05 0.00 -0.52 0.00 0.00 37.83 35.62 1xwt s LYS 398 CO 0.04 0.28 0.20 -0.06 -0.92 0.00 0.00 175.35 174.88 1xwt s PHE 399 N -2.31 3.28 -0.43 3.18 0.40 -1.26 -5.03 117.98 115.82 1xwt s PHE 399 Ca 0.21 0.22 -0.10 0.00 -0.60 0.00 0.00 56.93 56.66 1xwt s PHE 399 Cb -0.05 -2.34 0.08 0.00 0.51 0.00 0.00 43.02 41.23 1xwt s PHE 399 CO 0.09 -0.03 0.28 0.71 0.70 0.00 0.00 175.22 176.96 1xwt s TYR 400 N 1.38 3.34 0.39 0.36 1.51 -1.26 -5.06 117.35 118.00 1xwt s TYR 400 Ca 0.08 -1.52 -0.25 0.00 -1.01 0.00 0.00 57.07 54.38 1xwt s TYR 400 Cb -0.15 -3.05 -0.09 0.00 -0.11 0.00 0.00 41.96 38.57 1xwt s TYR 400 CO 0.07 -0.86 1.06 -0.80 -1.11 0.00 0.00 175.55 173.91 1xwt s ASN 401 N 2.23 6.79 0.61 2.29 0.01 -1.26 -4.56 114.94 121.06 1xwt s ASN 401 Ca 0.03 2.08 -0.14 0.00 -0.71 0.00 0.00 52.86 54.13 1xwt s ASN 401 Cb -0.24 -2.59 -0.03 0.00 0.41 0.00 0.00 41.25 38.80 1xwt s ASN 401 CO 0.02 -0.47 1.04 0.20 -1.51 0.00 0.00 177.10 176.38 1xwt s ASN 402 N -1.47 5.94 -0.08 -1.22 0.01 -1.26 -4.82 114.94 112.03 1xwt s ASN 402 Ca 0.56 1.63 0.00 0.00 -0.71 0.00 0.00 52.86 54.34 1xwt s ASN 402 Cb -0.23 -2.50 -0.03 0.00 0.41 0.00 0.00 41.25 38.89 1xwt s ASN 402 CO 0.29 -1.06 -0.06 0.42 -1.51 0.00 0.00 177.10 175.18 1xwt s THR 403 N -2.81 3.75 0.00 1.60 -4.23 -1.26 -5.01 115.64 107.69 1xwt s THR 403 Ca 0.59 -0.45 0.00 0.00 -1.18 0.00 0.00 61.69 60.65 1xwt s THR 403 Cb -0.13 -2.55 0.00 0.00 1.34 0.00 0.00 72.50 71.16 1xwt s THR 403 CO 0.44 0.59 0.41 0.49 -0.54 0.00 0.00 174.62 176.01