#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itq h PHE 2 N 0.00 0.37 -0.59 -0.67 3.04 -2.03 -1.50 116.94 115.55 1itq h PHE 2 Ca 0.00 0.03 -0.08 0.00 3.98 0.00 0.00 57.97 61.89 1itq h PHE 2 Cb 0.00 -0.08 -0.02 0.00 2.56 0.00 0.00 35.95 38.40 1itq h PHE 2 CO 0.00 0.12 0.03 0.74 -2.02 0.00 0.00 178.31 177.19 1itq h PHE 3 N 0.40 1.07 -0.41 0.41 0.04 -1.98 -0.02 116.94 116.44 1itq h PHE 3 Ca 0.26 -0.16 -0.10 0.00 2.80 0.00 0.00 57.97 60.77 1itq h PHE 3 Cb 0.28 -0.29 -0.02 0.00 2.20 0.00 0.00 35.95 38.12 1itq h PHE 3 CO -0.15 0.93 -0.14 -0.09 -0.60 0.00 0.00 178.31 178.26 1itq h ARG 4 N 0.92 0.75 -0.27 1.51 9.65 -1.83 0.60 114.38 125.71 1itq h ARG 4 Ca 0.17 -0.26 -0.11 0.00 -1.10 0.00 0.00 59.98 58.68 1itq h ARG 4 Cb 0.49 -0.06 -0.01 0.00 -1.39 0.00 0.00 29.97 29.00 1itq h ARG 4 CO 0.02 0.85 -0.31 -0.44 2.80 0.00 0.00 179.97 182.89 1itq h ASP 5 N 0.67 0.58 0.04 -3.80 3.45 -0.90 -2.39 116.42 114.07 1itq h ASP 5 Ca 0.11 -0.22 -0.16 0.00 0.43 0.00 0.00 57.03 57.19 1itq h ASP 5 Cb 0.62 -0.16 -0.01 0.00 -0.56 0.00 0.00 39.33 39.22 1itq h ASP 5 CO 0.04 0.86 -0.54 -0.33 -1.57 0.00 0.00 179.24 177.69 1itq h GLU 6 N 0.48 0.54 0.07 3.56 4.39 -0.53 -2.34 114.58 120.74 1itq h GLU 6 Ca 0.06 -0.34 0.01 0.00 0.34 0.00 0.00 59.36 59.43 1itq h GLU 6 Cb 0.78 0.04 -0.01 0.00 -0.10 0.00 0.00 28.75 29.45 1itq h GLU 6 CO 0.06 0.94 -0.10 0.00 -1.16 0.00 0.00 179.01 178.75 1itq h ALA 7 N 0.99 -0.17 -0.50 3.43 0.00 -0.65 -1.79 119.26 120.57 1itq h ALA 7 Ca 0.01 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.88 1itq h ALA 7 Cb 1.08 0.15 -0.02 0.00 0.00 0.00 0.00 17.79 19.00 1itq h ALA 7 CO 0.10 -0.61 0.22 0.93 0.00 0.00 0.00 179.25 179.89 1itq h GLU 8 N -0.21 0.71 0.16 0.00 5.08 -1.42 -0.38 114.58 118.52 1itq h GLU 8 Ca 0.02 -0.09 -0.01 0.00 -1.00 0.00 0.00 59.36 58.28 1itq h GLU 8 Cb 0.22 -0.13 0.00 0.00 0.50 0.00 0.00 28.75 29.33 1itq h GLU 8 CO -0.05 0.56 -0.08 -0.09 -1.00 0.00 0.00 179.01 178.35 1itq h ARG 9 N 0.71 -0.21 -0.39 2.33 2.43 -0.86 -2.42 114.38 115.97 1itq h ARG 9 Ca 0.17 0.01 -0.03 0.00 -0.81 0.00 0.00 59.98 59.33 1itq h ARG 9 Cb 0.10 0.05 -0.02 0.00 -0.42 0.00 0.00 29.97 29.68 1itq h ARG 9 CO -0.02 -0.06 0.14 0.82 -1.51 0.00 0.00 179.97 179.33 1itq h ILE 10 N -0.30 1.20 0.00 1.20 2.04 -1.08 -3.09 117.51 117.48 1itq h ILE 10 Ca -0.02 -0.64 -0.00 0.00 1.00 0.00 0.00 64.86 65.19 1itq h ILE 10 Cb 0.24 0.90 -0.00 0.00 -0.74 0.00 0.00 36.82 37.22 1itq h ILE 10 CO 0.04 0.23 -0.02 0.24 0.00 0.00 0.00 178.15 178.63 1itq h MET 11 N 0.48 0.00 0.00 2.37 2.86 -1.00 0.22 114.93 119.85 1itq h MET 11 Ca 0.13 0.00 -0.04 0.00 -2.06 0.00 0.00 59.70 57.73 1itq h MET 11 Cb 0.22 0.00 -0.01 0.00 0.06 0.00 0.00 31.60 31.87 1itq h MET 11 CO -0.01 0.02 -0.19 0.00 1.06 0.00 0.00 176.91 177.80 1itq h ARG 12 N 0.00 0.00 0.00 1.72 3.08 -1.35 -2.61 114.38 115.22 1itq h ARG 12 Ca -0.00 0.00 -0.31 0.00 0.07 0.00 0.00 59.98 59.74 1itq h ARG 12 Cb 0.09 0.00 -0.06 0.00 0.08 0.00 0.00 29.97 30.09 1itq h ARG 12 CO 0.00 0.19 -2.17 -0.25 -1.07 0.00 0.00 179.97 176.67 1itq n ASP 13 N -3.32 0.87 -3.55 7.04 10.43 -0.39 -4.75 116.55 122.88 1itq n ASP 13 Ca 0.00 -0.01 -0.27 0.00 2.57 0.00 0.00 54.79 57.09 1itq n ASP 13 Cb 0.43 0.86 -0.10 0.00 1.84 0.00 0.00 41.12 44.15 1itq n ASP 13 CO 0.00 0.00 0.00 -1.20 -1.07 0.00 0.00 177.20 174.93 1itq n SER 14 N -2.65 1.14 -4.63 -2.24 7.64 0.62 -5.12 113.62 108.38 1itq n SER 14 Ca -0.28 -2.78 -0.30 0.00 1.01 0.00 0.00 58.87 56.51 1itq n SER 14 Cb 1.05 -0.64 0.19 0.00 -1.01 0.00 0.00 64.21 63.79 1itq n SER 14 CO 0.00 0.00 0.00 -2.84 -3.01 0.00 0.00 175.04 169.19 1itq s PRO 15 N -0.80 0.60 -0.01 1.43 0.02 -0.99 -4.28 135.00 130.98 1itq s PRO 15 Ca 0.31 1.44 -0.28 0.00 0.02 0.00 0.00 61.00 62.48 1itq s PRO 15 Cb 0.03 -1.69 -0.03 0.00 0.02 0.00 0.00 34.50 32.83 1itq s PRO 15 CO -0.17 -2.88 0.90 0.54 -0.33 0.00 0.00 177.00 175.07 1itq s VAL 16 N -2.60 4.89 -0.44 3.83 0.11 -0.92 -4.16 120.40 121.11 1itq s VAL 16 Ca 0.67 1.89 -0.12 0.00 -2.93 0.00 0.00 61.98 61.50 1itq s VAL 16 Cb -0.23 -4.24 0.08 0.00 -1.53 0.00 0.00 36.38 30.45 1itq s VAL 16 CO 0.59 0.20 0.32 -0.63 -3.33 0.00 0.00 175.10 172.25 1itq s ILE 17 N 0.86 4.65 0.30 7.04 1.01 0.13 -2.40 121.20 132.78 1itq s ILE 17 Ca 0.48 -1.26 -0.16 0.00 0.00 0.00 0.00 60.65 59.70 1itq s ILE 17 Cb -0.20 -3.82 -0.09 0.00 0.01 0.00 0.00 42.46 38.36 1itq s ILE 17 CO 0.25 -0.54 0.74 -0.62 0.00 0.00 0.00 174.94 174.78 1itq s ASP 18 N 2.32 6.86 0.00 3.58 2.15 -0.68 -4.47 116.67 126.43 1itq s ASP 18 Ca 0.03 1.34 0.23 0.00 0.43 0.00 0.00 52.55 54.58 1itq s ASP 18 Cb -0.24 -2.39 0.04 0.00 -0.30 0.00 0.00 42.92 40.03 1itq s ASP 18 CO 0.04 -0.15 1.10 0.61 -0.17 0.00 0.00 175.17 176.60 1itq n GLY 19 N -0.08 -0.64 3.15 2.66 0.00 0.68 -2.22 105.19 108.73 1itq n GLY 19 Ca 0.02 -0.56 0.04 0.00 0.00 0.00 0.00 46.02 45.52 1itq n GLY 19 CO 0.00 0.00 0.00 -1.58 0.00 0.00 0.00 173.32 171.74 1itq s HIS 20 N -2.77 -1.50 -0.10 1.61 5.65 -1.25 -4.65 115.29 112.27 1itq s HIS 20 Ca 0.14 1.22 0.02 0.00 0.25 0.00 0.00 55.06 56.69 1itq s HIS 20 Cb 0.17 0.39 0.02 0.00 -1.18 0.00 0.00 32.58 31.98 1itq s HIS 20 CO 0.71 -0.85 -0.14 1.21 -0.65 0.00 0.00 174.74 175.03 1itq s ASN 21 N 2.87 2.30 -0.42 9.88 3.84 -1.11 -1.68 114.94 130.61 1itq s ASN 21 Ca 0.15 -0.39 0.00 0.00 0.21 0.00 0.00 52.86 52.83 1itq s ASN 21 Cb -0.11 -1.02 0.38 0.00 -0.55 0.00 0.00 41.25 39.95 1itq s ASN 21 CO -0.22 0.00 1.89 0.47 -2.79 0.00 0.00 177.10 176.45 1itq n ASP 22 N 4.23 5.76 -0.29 -4.21 9.92 -0.41 -1.31 116.55 130.25 1itq n ASP 22 Ca -0.19 -3.31 -0.06 0.00 -0.53 0.00 0.00 54.79 50.70 1itq n ASP 22 Cb 0.51 -0.92 0.06 0.00 -0.64 0.00 0.00 41.12 40.14 1itq n ASP 22 CO 0.00 0.00 0.00 0.25 0.13 0.00 0.00 177.20 177.58 1itq h LEU 23 N 1.81 1.07 -1.86 0.64 5.85 -1.80 -2.60 115.31 118.42 1itq h LEU 23 Ca 0.45 -0.16 0.15 0.00 0.84 0.00 0.00 57.88 59.16 1itq h LEU 23 Cb 1.41 -0.28 -0.03 0.00 0.37 0.00 0.00 40.66 42.13 1itq h LEU 23 CO 1.02 0.93 0.42 -0.65 -0.34 0.00 0.00 178.44 179.82 1itq h PRO 24 N 1.14 0.14 -0.39 5.25 0.11 -1.80 0.31 132.00 136.76 1itq h PRO 24 Ca 0.27 -0.01 -0.11 0.00 0.11 0.00 0.00 66.00 66.26 1itq h PRO 24 Cb 0.17 -0.03 -0.01 0.00 0.11 0.00 0.00 31.00 31.24 1itq h PRO 24 CO -0.03 0.09 -0.21 2.35 -0.21 0.00 0.00 178.00 179.99 1itq h TRP 25 N 0.15 0.86 -0.31 0.65 2.91 -1.71 -2.45 115.95 116.04 1itq h TRP 25 Ca 0.29 -0.19 -0.08 0.00 1.13 0.00 0.00 58.89 60.04 1itq h TRP 25 Cb 0.94 -0.21 -0.01 0.00 -0.51 0.00 0.00 29.16 29.37 1itq h TRP 25 CO -0.00 0.91 -0.12 1.96 -1.03 0.00 0.00 178.44 180.16 1itq h GLN 26 N 0.67 0.63 -0.27 2.65 1.08 -0.43 -0.72 115.11 118.72 1itq h GLN 26 Ca 0.09 -0.26 0.03 0.00 -1.45 0.00 0.00 58.65 57.06 1itq h GLN 26 Cb 0.72 -0.03 -0.01 0.00 -0.05 0.00 0.00 27.48 28.11 1itq h GLN 26 CO 0.06 0.84 0.18 -0.07 -0.95 0.00 0.00 178.83 178.89 1itq h LEU 27 N 0.40 0.21 0.00 1.46 3.38 -0.88 0.23 115.31 120.11 1itq h LEU 27 Ca 0.07 -0.00 -0.02 0.00 0.09 0.00 0.00 57.88 58.03 1itq h LEU 27 Cb 0.63 -0.05 -0.00 0.00 0.09 0.00 0.00 40.66 41.33 1itq h LEU 27 CO 0.04 0.14 -0.09 0.25 0.09 0.00 0.00 178.44 178.87 1itq h LEU 28 N 0.24 0.00 -1.17 1.67 5.85 -1.23 -1.42 115.31 119.26 1itq h LEU 28 Ca 0.11 -0.77 -0.06 0.00 0.84 0.00 0.00 57.88 58.00 1itq h LEU 28 Cb 0.15 0.00 -0.02 0.00 0.37 0.00 0.00 40.66 41.16 1itq h LEU 28 CO -0.02 0.94 -0.05 -0.78 -0.34 0.00 0.00 178.44 178.19 1itq h ASP 29 N -1.00 0.49 0.09 1.25 1.82 -1.03 0.54 116.42 118.58 1itq h ASP 29 Ca -0.02 -0.11 -0.25 0.00 -0.39 0.00 0.00 57.03 56.26 1itq h ASP 29 Cb 0.84 -0.13 -0.01 0.00 0.68 0.00 0.00 39.33 40.71 1itq h ASP 29 CO -0.01 0.60 -1.32 0.24 -1.61 0.00 0.00 179.24 177.14 1itq h MET 30 N 0.49 0.19 0.00 0.28 2.86 -0.69 -3.42 114.93 114.64 1itq h MET 30 Ca 0.10 -0.32 0.00 0.00 -2.06 0.00 0.00 59.70 57.42 1itq h MET 30 Cb 0.39 0.12 0.00 0.00 0.06 0.00 0.00 31.60 32.17 1itq h MET 30 CO 0.02 1.15 0.00 1.19 1.06 0.00 0.00 176.91 180.33 1itq n PHE 31 N -4.03 0.00 -3.94 -0.22 3.72 -0.62 -4.99 117.46 107.37 1itq n PHE 31 Ca -0.25 -0.43 -0.30 0.00 -0.05 0.00 0.00 57.45 56.41 1itq n PHE 31 Cb 0.84 -0.04 0.01 0.00 -0.94 0.00 0.00 39.48 39.35 1itq n PHE 31 CO 0.00 0.00 0.00 -1.71 -0.05 0.00 0.00 176.76 175.00 1itq n ASN 32 N -0.43 -3.76 -0.79 4.37 2.85 0.18 -1.33 115.26 116.34 1itq n ASN 32 Ca 0.00 -0.84 -0.10 0.00 -0.11 0.00 0.00 54.58 53.53 1itq n ASN 32 Cb 0.24 -3.66 -0.04 0.00 1.24 0.00 0.00 39.78 37.55 1itq n ASN 32 CO 0.00 0.00 0.00 0.59 -2.11 0.00 0.00 177.26 175.74 1itq n ASN 33 N -2.85 -5.61 -4.51 1.20 3.02 -0.69 -4.92 115.26 100.90 1itq n ASN 33 Ca -0.02 0.26 -0.43 0.00 -0.03 0.00 0.00 54.58 54.36 1itq n ASN 33 Cb 0.55 -4.03 -0.02 0.00 -0.61 0.00 0.00 39.78 35.67 1itq n ASN 33 CO 0.00 0.00 0.00 -0.13 -2.62 0.00 0.00 177.26 174.51 1itq s ARG 34 N -2.83 3.71 0.40 3.52 0.52 -0.44 -4.85 118.95 118.99 1itq s ARG 34 Ca 0.00 -1.64 0.28 0.00 -0.52 0.00 0.00 55.73 53.85 1itq s ARG 34 Cb 0.00 -5.20 1.32 0.00 0.52 0.00 0.00 34.95 31.59 1itq s ARG 34 CO 0.00 -2.02 1.85 -0.07 0.02 0.00 0.00 175.30 175.09 1itq h LEU 35 N 11.59 0.00 -0.25 2.53 3.38 -1.91 -2.64 115.31 128.01 1itq h LEU 35 Ca 0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.21 1itq h LEU 35 Cb 0.98 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.73 1itq h LEU 35 CO 1.30 0.00 -0.21 0.00 0.09 0.00 0.00 178.44 179.63 1itq n GLN 36 N -2.55 0.56 -2.03 1.13 6.02 -1.26 -4.66 117.38 114.59 1itq n GLN 36 Ca 0.00 -0.25 -0.41 0.00 -0.01 0.00 0.00 57.00 56.33 1itq n GLN 36 Cb 0.18 -1.49 -0.02 0.00 1.02 0.00 0.00 30.24 29.92 1itq n GLN 36 CO 0.00 0.00 0.00 0.34 -1.01 0.00 0.00 177.06 176.39 1itq s ASP 37 N -2.61 6.67 0.25 1.08 -1.08 -1.00 -4.93 116.67 115.05 1itq s ASP 37 Ca 0.23 2.68 -0.06 0.00 -0.52 0.00 0.00 52.55 54.89 1itq s ASP 37 Cb 0.19 -2.63 0.27 0.00 -1.46 0.00 0.00 42.92 39.29 1itq s ASP 37 CO 0.53 -0.67 1.93 1.05 0.52 0.00 0.00 175.17 178.52 1itq h GLU 38 N 4.63 1.31 0.00 4.34 4.11 -1.90 -1.76 114.58 125.32 1itq h GLU 38 Ca -0.47 -0.08 0.00 0.00 0.07 0.00 0.00 59.36 58.88 1itq h GLU 38 Cb 1.22 -0.30 0.00 0.00 0.50 0.00 0.00 28.75 30.17 1itq h GLU 38 CO 0.75 0.87 0.00 0.54 0.07 0.00 0.00 179.01 181.23 1itq n ARG 39 N -4.39 0.05 -0.32 1.06 1.74 -1.26 -2.32 116.66 111.22 1itq n ARG 39 Ca 0.12 0.36 0.11 0.00 -0.77 0.00 0.00 57.85 57.68 1itq n ARG 39 Cb 0.02 -1.61 0.29 0.00 -1.02 0.00 0.00 32.46 30.14 1itq n ARG 39 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itq n ALA 40 N -1.57 2.40 -2.05 7.54 0.00 -0.66 -4.75 120.51 121.41 1itq n ALA 40 Ca 0.02 -1.15 -0.42 0.00 0.00 0.00 0.00 53.44 51.89 1itq n ALA 40 Cb 0.14 -0.94 -0.03 0.00 0.00 0.00 0.00 19.45 18.62 1itq n ALA 40 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 1itq s ASN 41 N -1.10 6.71 0.52 0.00 3.84 -0.98 -4.88 114.94 119.04 1itq s ASN 41 Ca 0.45 2.29 0.30 0.00 0.21 0.00 0.00 52.86 56.11 1itq s ASN 41 Cb 0.24 -2.55 1.07 0.00 -0.55 0.00 0.00 41.25 39.46 1itq s ASN 41 CO 0.31 -0.84 1.88 -0.07 -2.79 0.00 0.00 177.10 175.59 1itq h LEU 42 N 8.92 0.00 -0.46 3.21 3.38 -1.92 0.29 115.31 128.74 1itq h LEU 42 Ca -0.40 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.57 1itq h LEU 42 Cb 1.19 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.94 1itq h LEU 42 CO 0.93 0.02 0.00 0.71 0.09 0.00 0.00 178.44 180.19 1itq h THR 43 N 0.00 0.00 0.00 0.22 1.35 -1.96 -1.34 112.91 111.18 1itq h THR 43 Ca -0.00 -0.60 0.00 0.00 -0.55 0.00 0.00 66.41 65.26 1itq h THR 43 Cb 0.66 1.55 0.00 0.00 -1.73 0.00 0.00 68.15 68.63 1itq h THR 43 CO 0.00 0.00 0.00 0.35 -0.25 0.00 0.00 175.52 175.62 1itq n THR 44 N -2.70 0.00 -1.62 6.82 -2.24 -1.11 -4.58 114.28 108.84 1itq n THR 44 Ca 0.03 -0.32 -0.49 0.00 -2.27 0.00 0.00 64.05 61.00 1itq n THR 44 Cb 0.40 1.31 -0.05 0.00 -2.10 0.00 0.00 70.33 69.89 1itq n THR 44 CO 0.00 0.00 0.00 -0.11 -0.57 0.00 0.00 175.07 174.39 1itq n LEU 45 N -0.07 2.25 -4.25 3.22 7.94 0.10 -4.98 117.00 121.20 1itq n LEU 45 Ca 0.00 1.11 -0.18 0.00 -1.11 0.00 0.00 56.01 55.83 1itq n LEU 45 Cb 0.08 -1.29 -0.11 0.00 0.53 0.00 0.00 43.42 42.62 1itq n LEU 45 CO 0.00 -0.77 -0.45 0.00 -1.11 0.00 0.00 177.39 175.07 1itq s ALA 46 N 0.52 1.55 0.00 1.96 0.00 -1.26 -4.76 121.76 119.77 1itq s ALA 46 Ca 0.80 -1.33 0.00 0.00 0.00 0.00 0.00 51.96 51.43 1itq s ALA 46 Cb -0.82 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 22.22 1itq s ALA 46 CO 0.44 0.09 0.00 0.41 0.00 0.00 0.00 175.76 176.71 1itq n GLY 47 N 0.43 0.46 3.49 0.00 0.00 -1.26 -5.06 105.19 103.25 1itq n GLY 47 Ca -0.15 0.00 -0.24 0.00 0.00 0.00 0.00 46.02 45.63 1itq n GLY 47 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 173.32 172.81 1itq s THR 48 N -2.18 2.46 -0.57 2.61 -4.23 -1.26 -5.02 115.64 107.46 1itq s THR 48 Ca 0.00 -2.34 0.26 0.00 -1.18 0.00 0.00 61.69 58.42 1itq s THR 48 Cb 0.00 -2.40 0.30 0.00 1.34 0.00 0.00 72.50 71.74 1itq s THR 48 CO 0.00 -0.35 1.74 0.45 -0.54 0.00 0.00 174.62 175.92 1itq h HIS 49 N 2.20 0.00 -4.15 3.99 3.86 -1.95 -3.45 115.15 115.65 1itq h HIS 49 Ca -0.41 0.00 -0.64 0.00 -1.16 0.00 0.00 60.37 58.17 1itq h HIS 49 Cb 1.26 0.00 -0.25 0.00 1.06 0.00 0.00 27.41 29.48 1itq h HIS 49 CO 0.80 0.00 -0.86 0.99 0.86 0.00 0.00 177.93 179.72 1itq s THR 50 N -3.20 1.94 -0.02 2.45 2.01 -1.26 -2.41 115.64 115.15 1itq s THR 50 Ca 0.08 -1.40 -0.30 0.00 0.31 0.00 0.00 61.69 60.38 1itq s THR 50 Cb 0.10 -1.69 0.11 0.00 0.01 0.00 0.00 72.50 71.03 1itq s THR 50 CO 0.58 0.21 1.15 0.54 -0.69 0.00 0.00 174.62 176.42 1itq s ASN 51 N -1.43 -0.14 0.13 3.53 2.20 -1.26 -4.90 114.94 113.06 1itq s ASN 51 Ca 0.10 -0.14 -0.20 0.00 -0.94 0.00 0.00 52.86 51.68 1itq s ASN 51 Cb -0.10 0.25 -0.03 0.00 -2.00 0.00 0.00 41.25 39.38 1itq s ASN 51 CO 0.03 -0.45 1.71 0.40 -2.94 0.00 0.00 177.10 175.85 1itq h ILE 52 N 2.00 0.81 -0.11 0.54 2.04 -1.54 -1.80 117.51 119.45 1itq h ILE 52 Ca -0.23 -0.00 -0.04 0.00 1.00 0.00 0.00 64.86 65.58 1itq h ILE 52 Cb 1.20 0.80 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 1itq h ILE 52 CO 0.27 0.00 -0.14 1.55 0.00 0.00 0.00 178.15 179.83 1itq h PRO 53 N 0.01 0.17 -0.26 2.37 0.13 -1.81 -1.57 132.00 131.05 1itq h PRO 53 Ca 0.09 -0.04 -0.16 0.00 -0.87 0.00 0.00 66.00 65.03 1itq h PRO 53 Cb 0.14 -0.02 -0.01 0.00 0.13 0.00 0.00 31.00 31.24 1itq h PRO 53 CO -0.20 0.32 -0.47 0.87 -0.23 0.00 0.00 178.00 178.29 1itq h LYS 54 N 0.16 0.69 -0.55 0.86 1.57 -1.89 -0.17 116.57 117.23 1itq h LYS 54 Ca 0.03 -0.39 -0.06 0.00 -1.87 0.00 0.00 60.65 58.36 1itq h LYS 54 Cb 0.35 0.03 -0.02 0.00 0.08 0.00 0.00 32.23 32.66 1itq h LYS 54 CO 0.02 1.01 0.12 -0.07 -0.57 0.00 0.00 179.45 179.96 1itq h LEU 55 N 0.55 0.86 -0.38 2.94 3.38 -0.89 0.06 115.31 121.82 1itq h LEU 55 Ca 0.03 -0.24 -0.10 0.00 0.09 0.00 0.00 57.88 57.66 1itq h LEU 55 Cb 1.02 -0.23 -0.01 0.00 0.09 0.00 0.00 40.66 41.54 1itq h LEU 55 CO 0.10 0.88 -0.15 0.03 0.09 0.00 0.00 178.44 179.39 1itq h ARG 56 N 0.80 0.78 -0.25 1.13 2.47 -1.19 -2.01 114.38 116.11 1itq h ARG 56 Ca 0.17 -0.32 -0.06 0.00 -1.26 0.00 0.00 59.98 58.51 1itq h ARG 56 Cb 0.37 -0.03 -0.01 0.00 -1.65 0.00 0.00 29.97 28.64 1itq h ARG 56 CO 0.01 0.94 -0.09 0.00 0.56 0.00 0.00 179.97 181.38 1itq h ALA 57 N 0.82 1.39 -0.13 0.04 0.00 -0.82 -2.43 119.26 118.13 1itq h ALA 57 Ca 0.09 -0.23 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1itq h ALA 57 Cb 0.69 -0.12 0.00 0.00 0.00 0.00 0.00 17.79 18.36 1itq h ALA 57 CO 0.05 0.42 0.00 0.41 0.00 0.00 0.00 179.25 180.13 1itq n GLY 58 N -0.80 -0.14 2.48 0.00 0.00 -0.01 -4.89 105.19 101.83 1itq n GLY 58 Ca 0.00 -0.29 -0.20 0.00 0.00 0.00 0.00 46.02 45.53 1itq n GLY 58 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 1itq n PHE 59 N -0.04 -1.12 -2.66 1.61 3.01 -0.91 -4.35 117.46 113.00 1itq n PHE 59 Ca 0.13 0.09 -0.43 0.00 1.01 0.00 0.00 57.45 58.26 1itq n PHE 59 Cb 0.22 -3.93 -0.02 0.00 -0.01 0.00 0.00 39.48 35.74 1itq n PHE 59 CO 0.00 0.00 0.00 0.08 1.01 0.00 0.00 176.76 177.85 1itq s VAL 60 N -3.02 4.51 -0.31 -4.37 1.01 -0.77 -2.16 120.40 115.29 1itq s VAL 60 Ca 0.05 1.68 0.05 0.00 0.00 0.00 0.00 61.98 63.76 1itq s VAL 60 Cb -0.02 -4.41 0.13 0.00 0.00 0.00 0.00 36.38 32.07 1itq s VAL 60 CO 0.07 -0.49 1.10 0.61 0.00 0.00 0.00 175.10 176.38 1itq n GLY 61 N 3.94 3.06 3.64 4.51 0.00 -1.01 -4.69 105.19 114.65 1itq n GLY 61 Ca 0.11 -0.21 -0.07 0.00 0.00 0.00 0.00 46.02 45.85 1itq n GLY 61 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1itq s GLY 62 N -1.13 -0.29 -0.10 -0.02 0.00 -1.17 -1.47 107.32 103.14 1itq s GLY 62 Ca 0.10 2.68 -0.05 0.00 0.00 0.00 0.00 44.72 47.46 1itq s GLY 62 CO 0.05 2.25 0.24 1.62 0.00 0.00 0.00 173.10 177.27 1itq s GLN 63 N 1.04 0.20 -0.66 2.90 2.00 0.21 -1.68 119.66 123.66 1itq s GLN 63 Ca -0.05 0.53 -0.21 0.00 -2.00 0.00 0.00 55.36 53.63 1itq s GLN 63 Cb -0.05 -0.12 0.08 0.00 0.80 0.00 0.00 33.01 33.73 1itq s GLN 63 CO -0.12 -0.17 0.91 -0.06 -0.50 0.00 0.00 175.29 175.35 1itq s PHE 64 N 1.30 2.79 -0.09 1.67 0.08 -0.94 -1.35 117.98 121.43 1itq s PHE 64 Ca -0.09 -0.72 -0.30 0.00 0.12 0.00 0.00 56.93 55.95 1itq s PHE 64 Cb -0.10 -4.22 -0.03 0.00 -0.57 0.00 0.00 43.02 38.09 1itq s PHE 64 CO -0.08 -1.55 1.30 -1.58 -0.10 0.00 0.00 175.22 173.20 1itq s TRP 65 N 3.62 2.89 -0.21 0.36 0.52 0.20 -2.74 118.94 123.58 1itq s TRP 65 Ca 0.20 0.97 -0.29 0.00 0.02 0.00 0.00 56.10 57.00 1itq s TRP 65 Cb -0.18 -3.54 -0.01 0.00 -1.15 0.00 0.00 33.47 28.59 1itq s TRP 65 CO 0.08 -1.89 1.26 0.45 0.02 0.00 0.00 176.95 176.87 1itq s SER 66 N 1.91 6.88 -0.59 2.95 0.15 -0.42 -1.35 113.70 123.23 1itq s SER 66 Ca 0.58 1.53 -0.19 0.00 0.70 0.00 0.00 55.95 58.57 1itq s SER 66 Cb -0.25 -2.54 0.10 0.00 -1.71 0.00 0.00 66.02 61.62 1itq s SER 66 CO 0.20 -0.85 0.69 -0.69 1.20 0.00 0.00 173.24 173.80 1itq s VAL 67 N 3.74 4.84 -0.03 4.45 1.01 0.57 -4.48 120.40 130.49 1itq s VAL 67 Ca 0.54 -1.02 0.06 0.00 0.00 0.00 0.00 61.98 61.57 1itq s VAL 67 Cb -0.20 -4.48 -0.01 0.00 0.00 0.00 0.00 36.38 31.69 1itq s VAL 67 CO 0.16 -1.11 -0.21 -0.47 0.00 0.00 0.00 175.10 173.47 1itq s TYR 68 N 2.62 1.98 -0.06 5.22 6.14 -1.26 -2.08 117.35 129.92 1itq s TYR 68 Ca 0.11 -0.47 0.00 0.00 0.64 0.00 0.00 57.07 57.36 1itq s TYR 68 Cb -0.24 -1.30 0.02 0.00 0.42 0.00 0.00 41.96 40.86 1itq s TYR 68 CO 0.06 -0.10 -0.03 -0.08 0.64 0.00 0.00 175.55 176.04 1itq s THR 69 N -0.31 0.53 1.01 4.34 -1.32 -1.26 -4.85 115.64 113.77 1itq s THR 69 Ca 0.03 -0.06 -0.19 0.00 -1.21 0.00 0.00 61.69 60.26 1itq s THR 69 Cb -0.10 -0.60 -0.07 0.00 -1.51 0.00 0.00 72.50 70.22 1itq s THR 69 CO 0.01 0.25 -0.58 -2.65 -2.21 0.00 0.00 174.62 169.44 1itq n PRO 70 N 4.48 -0.38 0.19 7.08 -0.02 -1.26 -4.87 135.00 140.22 1itq n PRO 70 Ca -0.18 -0.10 0.04 0.00 -2.02 0.00 0.00 63.50 61.24 1itq n PRO 70 Cb 0.50 -1.33 0.38 0.00 -0.02 0.00 0.00 33.50 33.04 1itq n PRO 70 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1itq n ASP 72 N -3.91 0.00 -0.88 0.00 3.85 -1.26 -1.93 116.55 112.42 1itq n ASP 72 Ca -0.02 -1.02 0.12 0.00 -0.71 0.00 0.00 54.79 53.16 1itq n ASP 72 Cb 0.42 0.00 0.13 0.00 -1.35 0.00 0.00 41.12 40.32 1itq n ASP 72 CO 0.00 0.00 0.00 0.35 -1.01 0.00 0.00 177.20 176.54 1itq n THR 73 N -0.81 0.00 -2.42 2.12 -2.24 -1.09 -4.81 114.28 105.03 1itq n THR 73 Ca 0.11 -0.46 -0.42 0.00 -2.27 0.00 0.00 64.05 61.02 1itq n THR 73 Cb 0.05 1.39 -0.03 0.00 -2.10 0.00 0.00 70.33 69.64 1itq n THR 73 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1itq s GLN 74 N -2.04 4.48 -1.20 -0.78 0.74 -0.81 -0.13 119.66 119.91 1itq s GLN 74 Ca 0.28 1.80 0.00 0.00 0.05 0.00 0.00 55.36 57.49 1itq s GLN 74 Cb 0.20 -3.30 0.00 0.00 1.10 0.00 0.00 33.01 31.01 1itq s GLN 74 CO 0.33 -0.14 0.00 0.09 -0.55 0.00 0.00 175.29 175.02 1itq n ASN 75 N 3.16 -4.28 0.00 6.67 3.02 -1.26 -4.86 115.26 117.70 1itq n ASN 75 Ca 0.06 0.23 0.00 0.00 -0.03 0.00 0.00 54.58 54.84 1itq n ASN 75 Cb 0.46 -2.97 0.00 0.00 -0.61 0.00 0.00 39.78 36.66 1itq n ASN 75 CO 0.00 0.00 0.00 0.29 -2.62 0.00 0.00 177.26 174.93 1itq n LYS 76 N -2.54 0.00 -0.61 3.52 5.02 -0.96 -4.38 118.16 118.21 1itq n LYS 76 Ca -0.12 0.00 0.02 0.00 -2.02 0.00 0.00 58.31 56.19 1itq n LYS 76 Cb 0.43 0.00 0.20 0.00 -0.02 0.00 0.00 35.03 35.65 1itq n LYS 76 CO 0.00 0.00 0.00 -0.40 -0.52 0.00 0.00 177.40 176.48 1itq n ASP 77 N 0.00 2.33 -0.26 4.39 3.85 -1.04 -4.78 116.55 121.04 1itq n ASP 77 Ca 0.00 -3.66 0.01 0.00 -0.71 0.00 0.00 54.79 50.43 1itq n ASP 77 Cb 0.00 -0.57 0.13 0.00 -1.35 0.00 0.00 41.12 39.34 1itq n ASP 77 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.20 176.19 1itq h ALA 78 N 0.95 1.03 -0.28 2.12 0.00 -0.85 -0.98 119.26 121.26 1itq h ALA 78 Ca 0.10 0.03 -0.08 0.00 0.00 0.00 0.00 54.91 54.96 1itq h ALA 78 Cb 1.33 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 19.00 1itq h ALA 78 CO 0.19 0.06 -0.14 0.28 0.00 0.00 0.00 179.25 179.64 1itq h VAL 79 N 0.72 1.30 0.25 0.00 2.07 -1.82 -0.98 116.25 117.79 1itq h VAL 79 Ca 0.35 -1.23 -0.01 0.00 0.82 0.00 0.00 66.70 66.63 1itq h VAL 79 Cb 0.29 1.51 0.00 0.00 -1.52 0.00 0.00 31.29 31.57 1itq h VAL 79 CO -0.23 0.39 -0.12 -0.09 0.02 0.00 0.00 177.57 177.54 1itq h ARG 80 N 0.33 -0.33 -0.62 1.57 2.43 -1.86 -2.17 114.38 113.73 1itq h ARG 80 Ca 0.06 0.02 -0.01 0.00 -0.81 0.00 0.00 59.98 59.25 1itq h ARG 80 Cb 0.65 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 30.25 1itq h ARG 80 CO 0.04 -0.15 0.36 0.00 -1.51 0.00 0.00 179.97 178.71 1itq h ARG 81 N -0.43 0.84 -0.55 0.20 3.08 -1.20 -1.20 114.38 115.12 1itq h ARG 81 Ca -0.03 -0.07 0.00 0.00 0.07 0.00 0.00 59.98 59.94 1itq h ARG 81 Cb 0.33 -0.18 -0.03 0.00 0.08 0.00 0.00 29.97 30.17 1itq h ARG 81 CO 0.06 0.60 0.34 1.15 -1.07 0.00 0.00 179.97 181.05 1itq h THR 82 N 0.85 1.16 -0.39 2.04 2.02 -1.03 0.91 112.91 118.46 1itq h THR 82 Ca 0.22 -0.33 -0.06 0.00 0.77 0.00 0.00 66.41 67.01 1itq h THR 82 Cb -0.02 0.39 -0.02 0.00 -1.74 0.00 0.00 68.15 66.76 1itq h THR 82 CO -0.04 0.16 -0.02 -0.07 0.37 0.00 0.00 175.52 175.92 1itq h LEU 83 N 0.74 0.60 -0.36 2.58 3.38 -0.67 -0.52 115.31 121.06 1itq h LEU 83 Ca 0.20 -0.13 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1itq h LEU 83 Cb -0.04 -0.16 -0.01 0.00 0.09 0.00 0.00 40.66 40.54 1itq h LEU 83 CO -0.04 0.68 -0.08 -0.33 0.09 0.00 0.00 178.44 178.76 1itq h GLU 84 N 0.60 0.70 0.00 1.13 5.08 -0.54 -0.87 114.58 120.68 1itq h GLU 84 Ca 0.12 -0.27 -0.06 0.00 -1.00 0.00 0.00 59.36 58.16 1itq h GLU 84 Cb 0.40 -0.04 -0.01 0.00 0.50 0.00 0.00 28.75 29.60 1itq h GLU 84 CO 0.02 0.85 -0.29 1.96 -1.00 0.00 0.00 179.01 180.55 1itq h GLN 85 N 0.50 0.00 0.00 2.33 1.08 -0.47 -1.49 115.11 117.06 1itq h GLN 85 Ca 0.09 0.00 -0.14 0.00 -1.45 0.00 0.00 58.65 57.15 1itq h GLN 85 Cb 0.59 0.00 -0.02 0.00 -0.05 0.00 0.00 27.48 28.00 1itq h GLN 85 CO 0.03 0.29 -0.67 0.52 -0.95 0.00 0.00 178.83 178.06 1itq h MET 86 N 0.00 0.00 -0.10 1.46 2.86 -0.83 -3.24 114.93 115.08 1itq h MET 86 Ca -0.00 0.00 -0.05 0.00 -2.06 0.00 0.00 59.70 57.59 1itq h MET 86 Cb 0.58 0.00 -0.00 0.00 0.06 0.00 0.00 31.60 32.24 1itq h MET 86 CO 0.04 0.67 -0.12 0.22 1.06 0.00 0.00 176.91 178.78 1itq h ASP 87 N 0.00 0.28 -0.44 1.22 3.58 -0.20 -2.72 116.42 118.14 1itq h ASP 87 Ca -0.01 -0.50 0.05 0.00 0.42 0.00 0.00 57.03 57.00 1itq h ASP 87 Cb 1.38 -0.08 -0.02 0.00 1.72 0.00 0.00 39.33 42.33 1itq h ASP 87 CO 0.09 0.72 0.29 1.62 -2.88 0.00 0.00 179.24 179.08 1itq h VAL 88 N -0.16 0.98 -0.10 2.25 3.04 -1.38 0.14 116.25 121.02 1itq h VAL 88 Ca 0.01 -0.13 -0.24 0.00 -1.01 0.00 0.00 66.70 65.34 1itq h VAL 88 Cb 0.65 0.57 0.01 0.00 -2.01 0.00 0.00 31.29 30.51 1itq h VAL 88 CO 0.03 0.07 -0.86 0.58 -1.01 0.00 0.00 177.57 176.38 1itq h VAL 89 N 0.38 1.28 -0.71 1.51 2.07 -1.58 0.94 116.25 120.14 1itq h VAL 89 Ca 0.19 -2.07 -0.03 0.00 0.82 0.00 0.00 66.70 65.61 1itq h VAL 89 Cb 0.27 2.11 -0.03 0.00 -1.52 0.00 0.00 31.29 32.11 1itq h VAL 89 CO -0.04 0.65 0.34 0.45 0.02 0.00 0.00 177.57 178.98 1itq h HIS 90 N 0.48 1.03 -0.27 1.57 -0.00 -0.89 -2.45 115.15 114.64 1itq h HIS 90 Ca -0.07 -0.05 -0.19 0.00 -0.00 0.00 0.00 60.37 60.05 1itq h HIS 90 Cb 1.49 -0.32 0.00 0.00 -0.00 0.00 0.00 27.41 28.58 1itq h HIS 90 CO 0.09 0.77 -0.58 0.00 -0.00 0.00 0.00 177.93 178.21 1itq h ARG 91 N 1.00 0.85 -0.83 2.45 3.08 -0.69 -3.08 114.38 117.15 1itq h ARG 91 Ca 0.24 -0.56 0.07 0.00 0.07 0.00 0.00 59.98 59.80 1itq h ARG 91 Cb 0.13 0.07 -0.06 0.00 0.08 0.00 0.00 29.97 30.19 1itq h ARG 91 CO -0.03 1.19 0.51 1.98 -1.07 0.00 0.00 179.97 182.55 1itq h MET 92 N 0.64 0.89 0.00 0.04 4.05 -0.65 0.25 114.93 120.15 1itq h MET 92 Ca 0.01 -0.05 0.00 0.00 -0.28 0.00 0.00 59.70 59.37 1itq h MET 92 Cb 1.18 -0.20 0.00 0.00 -0.80 0.00 0.00 31.60 31.78 1itq h MET 92 CO 0.13 0.59 0.00 0.00 0.23 0.00 0.00 176.91 177.85 1itq n ARG 94 N -2.98 0.67 0.10 0.00 1.74 -0.65 -3.42 116.66 112.12 1itq n ARG 94 Ca 0.02 0.25 -0.05 0.00 -0.77 0.00 0.00 57.85 57.30 1itq n ARG 94 Cb 0.34 -1.74 0.06 0.00 -1.02 0.00 0.00 32.46 30.10 1itq n ARG 94 CO 0.00 0.00 0.00 1.98 -1.52 0.00 0.00 177.63 178.09 1itq h MET 95 N 0.02 0.09 -2.03 5.56 4.05 -0.87 -3.34 114.93 118.41 1itq h MET 95 Ca -0.36 -0.08 -0.56 0.00 -0.28 0.00 0.00 59.70 58.41 1itq h MET 95 Cb 2.04 0.02 -0.42 0.00 -0.80 0.00 0.00 31.60 32.44 1itq h MET 95 CO 0.07 0.81 -0.76 0.66 0.23 0.00 0.00 176.91 177.92 1itq n TYR 96 N -3.68 3.28 0.28 1.39 4.01 -0.79 -4.89 117.16 116.76 1itq n TYR 96 Ca -0.02 -3.73 0.14 0.00 -0.16 0.00 0.00 57.90 54.13 1itq n TYR 96 Cb 0.73 -0.39 0.67 0.00 -0.31 0.00 0.00 39.34 40.04 1itq n TYR 96 CO 0.00 0.00 0.00 -1.00 -0.46 0.00 0.00 176.86 175.40 1itq h PRO 97 N 2.90 0.00 0.00 -0.72 0.13 -1.68 -0.22 132.00 132.40 1itq h PRO 97 Ca 0.15 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.28 1itq h PRO 97 Cb 0.68 0.00 0.00 0.00 0.13 0.00 0.00 31.00 31.81 1itq h PRO 97 CO 0.77 0.00 -0.03 1.05 -0.23 0.00 0.00 178.00 179.56 1itq h GLU 98 N 0.00 0.00 0.00 0.86 9.09 -1.90 -3.39 114.58 119.24 1itq h GLU 98 Ca 0.00 0.00 0.00 0.00 0.05 0.00 0.00 59.36 59.41 1itq h GLU 98 Cb 0.18 0.00 0.00 0.00 -1.65 0.00 0.00 28.75 27.28 1itq h GLU 98 CO 0.00 0.00 -0.36 2.41 0.05 0.00 0.00 179.01 181.11 1itq n THR 99 N -2.87 0.67 -3.13 -1.06 -1.04 -0.25 -4.88 114.28 101.72 1itq n THR 99 Ca 0.04 0.30 -0.38 0.00 -2.04 0.00 0.00 64.05 61.97 1itq n THR 99 Cb 0.50 -1.75 -0.06 0.00 -1.82 0.00 0.00 70.33 67.21 1itq n THR 99 CO 0.00 0.00 0.00 -0.36 -0.64 0.00 0.00 175.07 174.07 1itq s PHE 100 N -1.79 3.78 -0.28 -1.42 0.08 -0.31 -1.15 117.98 116.89 1itq s PHE 100 Ca -0.10 1.41 0.00 0.00 0.12 0.00 0.00 56.93 58.36 1itq s PHE 100 Cb 0.01 -2.62 0.09 0.00 -0.57 0.00 0.00 43.02 39.93 1itq s PHE 100 CO 0.15 0.47 0.04 -1.17 -0.10 0.00 0.00 175.22 174.62 1itq s LEU 101 N -1.46 2.69 0.04 -0.37 2.96 -0.76 -4.44 118.68 117.33 1itq s LEU 101 Ca 0.36 -1.53 -0.30 0.00 -0.22 0.00 0.00 54.13 52.44 1itq s LEU 101 Cb -0.19 -1.06 -0.07 0.00 0.50 0.00 0.00 46.19 45.36 1itq s LEU 101 CO 0.22 -0.35 1.57 -0.47 -1.32 0.00 0.00 176.35 176.00 1itq s TYR 102 N 1.45 2.53 0.16 5.38 5.04 -1.26 -0.62 117.35 130.03 1itq s TYR 102 Ca 0.05 0.48 0.01 0.00 -2.44 0.00 0.00 57.07 55.16 1itq s TYR 102 Cb -0.18 -3.86 -0.04 0.00 0.35 0.00 0.00 41.96 38.23 1itq s TYR 102 CO -0.15 -3.39 0.02 0.14 -1.34 0.00 0.00 175.55 170.82 1itq s VAL 103 N 2.67 0.52 0.00 3.14 -7.23 -0.16 -4.88 120.40 114.47 1itq s VAL 103 Ca 0.70 -1.96 0.00 0.00 -1.81 0.00 0.00 61.98 58.91 1itq s VAL 103 Cb -0.36 -2.10 0.00 0.00 0.56 0.00 0.00 36.38 34.47 1itq s VAL 103 CO 0.30 -0.47 0.55 0.35 -0.31 0.00 0.00 175.10 175.52 1itq n THR 104 N -0.21 0.00 -4.18 5.32 -2.24 -1.26 -4.35 114.28 107.36 1itq n THR 104 Ca -0.06 0.00 -0.11 0.00 -2.27 0.00 0.00 64.05 61.61 1itq n THR 104 Cb 0.63 0.80 -0.10 0.00 -2.10 0.00 0.00 70.33 69.57 1itq n THR 104 CO 0.00 0.00 0.00 -0.55 -0.57 0.00 0.00 175.07 173.95 1itq s SER 105 N -0.18 1.22 0.24 3.42 0.15 -1.26 -5.00 113.70 112.30 1itq s SER 105 Ca 0.00 -1.02 -0.01 0.00 0.70 0.00 0.00 55.95 55.62 1itq s SER 105 Cb 0.00 0.09 0.28 0.00 -1.71 0.00 0.00 66.02 64.68 1itq s SER 105 CO 0.00 -0.46 1.66 0.77 1.20 0.00 0.00 173.24 176.41 1itq h SER 106 N 2.93 0.63 0.32 5.45 4.64 -1.96 -1.94 113.55 123.61 1itq h SER 106 Ca -0.35 -0.23 -0.08 0.00 -0.47 0.00 0.00 61.79 60.65 1itq h SER 106 Cb 1.17 -0.17 -0.01 0.00 -0.31 0.00 0.00 62.40 63.08 1itq h SER 106 CO 0.64 0.87 -0.36 0.00 -0.87 0.00 0.00 176.83 177.12 1itq h ALA 107 N 1.18 1.34 -0.46 5.18 0.00 -1.98 -2.72 119.26 121.79 1itq h ALA 107 Ca 0.07 -0.34 -0.12 0.00 0.00 0.00 0.00 54.91 54.53 1itq h ALA 107 Cb 0.73 -0.07 -0.02 0.00 0.00 0.00 0.00 17.79 18.44 1itq h ALA 107 CO 0.06 0.48 -0.17 0.78 0.00 0.00 0.00 179.25 180.39 1itq h GLY 108 N 1.11 0.97 0.96 0.00 0.00 -1.76 -2.07 103.07 102.29 1itq h GLY 108 Ca 0.01 -0.81 -0.01 0.00 0.00 0.00 0.00 47.33 46.52 1itq h GLY 108 CO 0.05 0.74 0.20 -2.22 0.00 0.00 0.00 176.54 175.31 1itq h ILE 109 N 0.79 1.15 0.00 2.60 2.04 -1.17 -0.88 117.51 122.04 1itq h ILE 109 Ca 0.11 -0.39 -0.03 0.00 1.00 0.00 0.00 64.86 65.56 1itq h ILE 109 Cb 0.71 0.72 -0.00 0.00 -0.74 0.00 0.00 36.82 37.51 1itq h ILE 109 CO 0.05 0.15 -0.13 0.03 0.00 0.00 0.00 178.15 178.25 1itq h ARG 110 N 0.48 0.00 -0.14 2.37 3.08 -1.37 -1.77 114.38 117.03 1itq h ARG 110 Ca 0.13 0.00 -0.18 0.00 0.07 0.00 0.00 59.98 60.01 1itq h ARG 110 Cb 0.06 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.12 1itq h ARG 110 CO -0.02 0.13 -0.60 0.37 -1.07 0.00 0.00 179.97 178.79 1itq h GLN 111 N 0.00 0.65 -0.69 0.04 5.75 -0.65 -2.45 115.11 117.76 1itq h GLN 111 Ca -0.00 -0.51 0.02 0.00 -0.15 0.00 0.00 58.65 58.00 1itq h GLN 111 Cb 0.26 0.10 -0.04 0.00 1.07 0.00 0.00 27.48 28.87 1itq h GLN 111 CO 0.02 1.13 0.45 0.00 -2.65 0.00 0.00 178.83 177.78 1itq h ALA 112 N 0.52 0.88 -0.08 3.38 0.00 -0.44 -1.33 119.26 122.19 1itq h ALA 112 Ca -0.04 -0.04 0.03 0.00 0.00 0.00 0.00 54.91 54.87 1itq h ALA 112 Cb 1.23 -0.25 -0.03 0.00 0.00 0.00 0.00 17.79 18.74 1itq h ALA 112 CO 0.12 0.26 -0.10 0.74 0.00 0.00 0.00 179.25 180.27 1itq h PHE 113 N 0.89 -0.25 -0.78 0.00 0.05 -1.34 0.13 116.94 115.64 1itq h PHE 113 Ca 0.26 0.01 0.09 0.00 3.82 0.00 0.00 57.97 62.16 1itq h PHE 113 Cb -0.06 0.13 -0.05 0.00 2.00 0.00 0.00 35.95 37.97 1itq h PHE 113 CO -0.03 -0.16 0.51 0.00 -0.18 0.00 0.00 178.31 178.45 1itq h ARG 114 N -0.14 0.71 -0.04 1.51 3.08 -0.92 -2.29 114.38 116.29 1itq h ARG 114 Ca 0.07 -0.04 0.00 0.00 0.07 0.00 0.00 59.98 60.07 1itq h ARG 114 Cb 0.23 -0.16 0.00 0.00 0.08 0.00 0.00 29.97 30.12 1itq h ARG 114 CO -0.16 0.47 0.00 0.39 -1.07 0.00 0.00 179.97 179.60 1itq n GLU 115 N -4.50 1.74 -1.84 0.04 1.02 -0.55 -4.93 120.64 111.61 1itq n GLU 115 Ca 0.13 -1.08 -0.10 0.00 -0.02 0.00 0.00 57.16 56.09 1itq n GLU 115 Cb 0.31 -1.47 -0.02 0.00 -0.02 0.00 0.00 31.44 30.24 1itq n GLU 115 CO 0.00 0.00 0.00 0.41 1.18 0.00 0.00 177.13 178.72 1itq n GLY 116 N 1.19 0.42 3.58 0.62 0.00 -0.39 -5.01 105.19 105.59 1itq n GLY 116 Ca 0.18 -0.51 -0.29 0.00 0.00 0.00 0.00 46.02 45.40 1itq n GLY 116 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1itq s LYS 117 N -3.86 2.12 -0.51 1.61 1.02 0.32 -4.98 119.74 115.47 1itq s LYS 117 Ca 0.00 -1.07 -0.28 0.00 0.02 0.00 0.00 55.97 54.64 1itq s LYS 117 Cb 0.00 -2.28 0.02 0.00 -0.52 0.00 0.00 37.83 35.04 1itq s LYS 117 CO 0.00 0.49 1.37 0.08 -0.92 0.00 0.00 175.35 176.37 1itq s VAL 118 N -1.31 3.88 0.12 3.17 1.01 -0.30 -4.04 120.40 122.93 1itq s VAL 118 Ca 0.22 0.82 -0.31 0.00 0.00 0.00 0.00 61.98 62.71 1itq s VAL 118 Cb -0.11 -4.42 -0.10 0.00 0.00 0.00 0.00 36.38 31.76 1itq s VAL 118 CO 0.14 -1.05 1.86 0.00 0.00 0.00 0.00 175.10 176.05 1itq s ALA 119 N 5.62 3.75 -0.23 5.51 0.00 -0.54 -1.83 121.76 134.03 1itq s ALA 119 Ca 0.54 1.45 -0.02 0.00 0.00 0.00 0.00 51.96 53.93 1itq s ALA 119 Cb -0.11 -3.78 0.02 0.00 0.00 0.00 0.00 23.12 19.25 1itq s ALA 119 CO 0.28 -1.28 -0.08 -1.12 0.00 0.00 0.00 175.76 173.56 1itq s SER 120 N 2.98 4.13 0.40 0.00 0.01 0.21 0.64 113.70 122.07 1itq s SER 120 Ca 0.82 -0.72 0.06 0.00 1.31 0.00 0.00 55.95 57.43 1itq s SER 120 Cb -0.46 -1.65 -0.08 0.00 0.21 0.00 0.00 66.02 64.04 1itq s SER 120 CO 0.37 -0.08 0.02 -0.76 0.41 0.00 0.00 173.24 173.20 1itq s LEU 121 N 1.36 2.76 -0.10 2.44 1.02 -0.45 -0.98 118.68 124.72 1itq s LEU 121 Ca 0.02 -1.38 0.01 0.00 0.02 0.00 0.00 54.13 52.80 1itq s LEU 121 Cb -0.15 -0.82 -0.02 0.00 0.02 0.00 0.00 46.19 45.21 1itq s LEU 121 CO -0.05 -0.49 -0.13 -0.63 0.02 0.00 0.00 176.35 175.07 1itq s ILE 122 N -2.80 3.07 -0.16 -0.59 1.01 -1.26 -0.62 121.20 119.85 1itq s ILE 122 Ca 0.34 -0.68 0.00 0.00 0.00 0.00 0.00 60.65 60.32 1itq s ILE 122 Cb 0.10 -2.26 0.03 0.00 0.01 0.00 0.00 42.46 40.34 1itq s ILE 122 CO 0.17 0.55 -0.11 -0.83 0.00 0.00 0.00 174.94 174.73 1itq s GLY 123 N -0.08 1.10 -0.43 6.18 0.00 -0.46 -1.67 107.32 111.97 1itq s GLY 123 Ca -0.02 -0.94 -0.23 0.00 0.00 0.00 0.00 44.72 43.52 1itq s GLY 123 CO 0.04 0.69 0.80 0.14 0.00 0.00 0.00 173.10 174.77 1itq s VAL 124 N 1.51 4.65 -0.81 1.40 1.01 -0.30 -0.32 120.40 127.54 1itq s VAL 124 Ca 0.02 0.58 -0.19 0.00 0.00 0.00 0.00 61.98 62.39 1itq s VAL 124 Cb -0.14 -4.31 0.12 0.00 0.00 0.00 0.00 36.38 32.05 1itq s VAL 124 CO -0.09 -0.66 0.98 -0.70 0.00 0.00 0.00 175.10 174.63 1itq s GLU 125 N 3.30 3.41 0.00 2.72 2.12 -0.88 -0.59 118.70 128.78 1itq s GLU 125 Ca 0.31 -1.59 0.00 0.00 0.36 0.00 0.00 54.97 54.05 1itq s GLU 125 Cb -0.12 -4.62 0.00 0.00 0.26 0.00 0.00 34.13 29.65 1itq s GLU 125 CO 0.22 -1.69 0.00 0.41 -0.54 0.00 0.00 175.26 173.66 1itq n GLY 126 N 5.26 3.86 0.28 -1.50 0.00 -0.26 -4.58 105.19 108.24 1itq n GLY 126 Ca 0.12 -1.00 0.17 0.00 0.00 0.00 0.00 46.02 45.31 1itq n GLY 126 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1itq h GLY 127 N 0.00 0.00 2.00 -0.02 0.00 -0.68 -2.93 103.07 101.44 1itq h GLY 127 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1itq h GLY 127 CO 0.00 0.00 0.00 -2.39 0.00 0.00 0.00 176.54 174.15 1itq n HIS 128 N -3.11 0.09 0.19 5.60 1.44 -1.26 -1.95 115.22 116.22 1itq n HIS 128 Ca 0.00 0.04 0.06 0.00 -2.01 0.00 0.00 57.72 55.82 1itq n HIS 128 Cb 0.31 -0.57 0.36 0.00 0.12 0.00 0.00 29.99 30.21 1itq n HIS 128 CO 0.00 0.00 0.00 0.77 -2.81 0.00 0.00 176.34 174.30 1itq h SER 129 N 0.00 0.00 0.31 4.39 0.02 -1.83 -2.88 113.55 113.57 1itq h SER 129 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 1itq h SER 129 Cb 0.12 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.66 1itq h SER 129 CO 0.00 0.35 -0.57 2.30 -1.14 0.00 0.00 176.83 177.76 1itq n ILE 130 N -3.53 0.00 -3.98 3.27 -5.35 -0.82 -4.30 119.36 104.64 1itq n ILE 130 Ca -0.00 -0.04 -0.29 0.00 -0.27 0.00 0.00 62.75 62.15 1itq n ILE 130 Cb 0.49 0.51 -0.02 0.00 -1.74 0.00 0.00 39.64 38.87 1itq n ILE 130 CO 0.00 0.00 0.00 -0.67 -1.76 0.00 0.00 176.55 174.12 1itq n ASP 131 N -1.27 -1.21 -4.06 7.28 4.64 -1.09 -1.85 116.55 119.00 1itq n ASP 131 Ca 0.07 -1.08 -0.33 0.00 -1.38 0.00 0.00 54.79 52.06 1itq n ASP 131 Cb 0.34 -2.74 -0.00 0.00 -1.04 0.00 0.00 41.12 37.69 1itq n ASP 131 CO 0.00 0.00 0.00 -1.20 -0.82 0.00 0.00 177.20 175.18 1itq n SER 132 N -2.85 -3.90 -4.00 1.67 7.64 -1.26 -4.96 113.62 105.96 1itq n SER 132 Ca -0.26 -0.90 -0.27 0.00 1.01 0.00 0.00 58.87 58.45 1itq n SER 132 Cb 0.66 -3.32 -0.17 0.00 -1.01 0.00 0.00 64.21 60.38 1itq n SER 132 CO 0.00 0.00 0.00 -0.55 -3.01 0.00 0.00 175.04 171.48 1itq s SER 133 N -3.35 2.12 0.36 6.43 0.15 -0.77 -4.52 113.70 114.12 1itq s SER 133 Ca 0.67 -0.35 0.17 0.00 0.70 0.00 0.00 55.95 57.14 1itq s SER 133 Cb -0.35 -0.92 0.66 0.00 -1.71 0.00 0.00 66.02 63.69 1itq s SER 133 CO 0.88 -0.02 1.74 -0.07 1.20 0.00 0.00 173.24 176.97 1itq h LEU 134 N 7.48 0.00 -0.17 3.45 3.38 -1.91 -2.18 115.31 125.37 1itq h LEU 134 Ca -0.31 0.00 -0.23 0.00 0.09 0.00 0.00 57.88 57.43 1itq h LEU 134 Cb 1.17 0.00 0.01 0.00 0.09 0.00 0.00 40.66 41.92 1itq h LEU 134 CO 0.46 0.41 -0.89 1.23 0.09 0.00 0.00 178.44 179.74 1itq h GLY 135 N 1.85 0.64 1.05 0.83 0.00 -1.94 -1.95 103.07 103.55 1itq h GLY 135 Ca -0.00 -1.03 -0.11 0.00 0.00 0.00 0.00 47.33 46.19 1itq h GLY 135 CO 0.05 0.91 -0.14 -2.08 0.00 0.00 0.00 176.54 175.28 1itq h VAL 136 N 0.35 1.27 -0.49 4.60 2.07 -1.81 -1.48 116.25 120.77 1itq h VAL 136 Ca -0.08 -1.28 0.05 0.00 0.82 0.00 0.00 66.70 66.22 1itq h VAL 136 Cb 1.52 1.12 -0.05 0.00 -1.52 0.00 0.00 31.29 32.36 1itq h VAL 136 CO 0.17 0.44 0.22 0.25 0.02 0.00 0.00 177.57 178.66 1itq h LEU 137 N 0.77 0.27 -1.27 2.57 6.46 -1.35 0.30 115.31 123.07 1itq h LEU 137 Ca 0.11 0.04 -0.06 0.00 -0.12 0.00 0.00 57.88 57.85 1itq h LEU 137 Cb 0.70 -0.00 -0.01 0.00 -0.73 0.00 0.00 40.66 40.62 1itq h LEU 137 CO 0.05 0.19 -0.31 0.03 -0.62 0.00 0.00 178.44 177.79 1itq h ARG 138 N 0.42 0.00 -0.08 1.25 3.08 -1.24 -1.67 114.38 116.14 1itq h ARG 138 Ca 0.23 0.00 -0.10 0.00 0.07 0.00 0.00 59.98 60.18 1itq h ARG 138 Cb 0.19 0.00 0.00 0.00 0.08 0.00 0.00 29.97 30.24 1itq h ARG 138 CO -0.19 0.31 -0.34 0.00 -1.07 0.00 0.00 179.97 178.67 1itq h ALA 139 N 1.69 0.15 -0.76 0.04 0.00 0.13 -2.65 119.26 117.87 1itq h ALA 139 Ca -0.00 -0.45 -0.00 0.00 0.00 0.00 0.00 54.91 54.46 1itq h ALA 139 Cb 0.69 -0.01 -0.04 0.00 0.00 0.00 0.00 17.79 18.43 1itq h ALA 139 CO 0.04 0.22 0.46 -0.07 0.00 0.00 0.00 179.25 179.90 1itq h LEU 140 N -0.08 0.91 -0.91 0.00 3.38 -0.30 -0.39 115.31 117.92 1itq h LEU 140 Ca -0.02 -0.05 -0.01 0.00 0.09 0.00 0.00 57.88 57.88 1itq h LEU 140 Cb 0.98 -0.23 -0.04 0.00 0.09 0.00 0.00 40.66 41.46 1itq h LEU 140 CO 0.07 0.70 0.51 0.22 0.09 0.00 0.00 178.44 180.04 1itq h TYR 141 N 1.05 1.23 0.00 1.13 5.03 -1.30 -0.50 116.97 123.61 1itq h TYR 141 Ca 0.27 -0.02 -0.09 0.00 2.58 0.00 0.00 58.73 61.47 1itq h TYR 141 Cb -0.04 -0.40 -0.01 0.00 1.55 0.00 0.00 36.73 37.83 1itq h TYR 141 CO 0.00 0.84 -0.43 1.96 -1.32 0.00 0.00 178.16 179.21 1itq h GLN 142 N 1.26 0.00 -0.04 1.82 4.20 -0.88 -2.70 115.11 118.76 1itq h GLN 142 Ca 0.32 0.00 0.00 0.00 0.06 0.00 0.00 58.65 59.03 1itq h GLN 142 Cb 0.00 0.00 0.00 0.00 0.30 0.00 0.00 27.48 27.78 1itq h GLN 142 CO -0.05 0.43 0.00 1.28 -0.67 0.00 0.00 178.83 179.82 1itq n LEU 143 N -3.70 0.47 0.00 1.46 4.77 -0.27 -4.89 117.00 114.84 1itq n LEU 143 Ca -0.01 -0.19 0.00 0.00 -0.03 0.00 0.00 56.01 55.78 1itq n LEU 143 Cb 0.51 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.57 1itq n LEU 143 CO 0.38 0.10 0.00 0.61 -1.33 0.00 0.00 177.39 177.15 1itq n GLY 144 N 0.90 0.81 3.68 -0.72 0.00 -0.88 -5.03 105.19 103.94 1itq n GLY 144 Ca 0.15 0.00 -0.47 0.00 0.00 0.00 0.00 46.02 45.70 1itq n GLY 144 CO 0.00 0.00 0.00 -0.13 0.00 0.00 0.00 173.32 173.19 1itq n MET 145 N -0.90 2.22 0.00 1.61 0.00 -0.31 -4.19 117.12 115.54 1itq n MET 145 Ca 0.00 0.81 0.00 0.00 0.00 0.00 0.00 57.70 58.51 1itq n MET 145 Cb 0.00 -2.63 0.00 0.00 0.00 0.00 0.00 33.22 30.59 1itq n MET 145 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 175.97 176.51 1itq n ARG 146 N 5.36 -0.26 -3.62 2.12 5.12 -0.67 -4.56 116.66 120.15 1itq n ARG 146 Ca 0.20 -0.45 -0.14 0.00 -1.93 0.00 0.00 57.85 55.52 1itq n ARG 146 Cb 0.30 -0.95 -0.07 0.00 -1.16 0.00 0.00 32.46 30.58 1itq n ARG 146 CO 0.00 0.00 0.00 1.52 -1.93 0.00 0.00 177.63 177.22 1itq s TYR 147 N -0.09 -0.76 -0.14 -1.55 -0.85 -1.24 -1.23 117.35 111.49 1itq s TYR 147 Ca 0.00 1.78 0.00 0.00 -0.52 0.00 0.00 57.07 58.33 1itq s TYR 147 Cb 0.00 0.28 0.02 0.00 0.38 0.00 0.00 41.96 42.65 1itq s TYR 147 CO 0.00 -0.40 -0.11 -1.17 -1.52 0.00 0.00 175.55 172.34 1itq s LEU 148 N 0.16 1.50 -0.62 -3.49 2.96 -0.86 -1.15 118.68 117.18 1itq s LEU 148 Ca -0.02 -0.43 -0.28 0.00 -0.22 0.00 0.00 54.13 53.19 1itq s LEU 148 Cb -0.04 -1.04 0.03 0.00 0.50 0.00 0.00 46.19 45.64 1itq s LEU 148 CO 0.02 -0.09 1.22 -0.89 -1.32 0.00 0.00 176.35 175.30 1itq s THR 149 N 1.58 3.94 0.31 3.68 2.01 0.25 -1.78 115.64 125.62 1itq s THR 149 Ca 0.05 0.78 0.16 0.00 0.31 0.00 0.00 61.69 62.99 1itq s THR 149 Cb -0.13 -4.76 0.30 0.00 0.01 0.00 0.00 72.50 67.93 1itq s THR 149 CO -0.10 -1.45 1.34 0.18 -0.69 0.00 0.00 174.62 173.90 1itq n LEU 150 N 8.71 0.25 -4.13 4.42 4.77 -1.06 -1.11 117.00 128.86 1itq n LEU 150 Ca 0.07 1.41 -0.13 0.00 -0.03 0.00 0.00 56.01 57.33 1itq n LEU 150 Cb 0.49 -0.67 -0.07 0.00 -2.33 0.00 0.00 43.42 40.84 1itq n LEU 150 CO 0.71 -1.56 -0.01 0.42 -1.33 0.00 0.00 177.39 175.63 1itq s THR 151 N -5.35 0.00 0.00 -5.08 -4.23 -1.26 -1.04 115.64 98.68 1itq s THR 151 Ca -0.08 -1.73 0.00 0.00 -1.18 0.00 0.00 61.69 58.70 1itq s THR 151 Cb 0.28 -2.46 0.00 0.00 1.34 0.00 0.00 72.50 71.66 1itq s THR 151 CO 0.66 0.00 0.00 1.57 -0.54 0.00 0.00 174.62 176.31 1itq n HIS 152 N -0.43 0.00 -1.02 3.99 -0.00 -1.26 -4.07 115.22 112.42 1itq n HIS 152 Ca 0.02 0.00 -0.18 0.00 0.46 0.00 0.00 57.72 58.02 1itq n HIS 152 Cb 0.63 0.00 -0.00 0.00 -0.12 0.00 0.00 29.99 30.50 1itq n HIS 152 CO 0.00 0.00 0.00 0.43 0.46 0.00 0.00 176.34 177.23 1itq n SER 153 N 0.00 6.32 -3.58 0.26 7.64 -1.26 -4.54 113.62 118.46 1itq n SER 153 Ca 0.00 -3.02 -0.12 0.00 1.01 0.00 0.00 58.87 56.73 1itq n SER 153 Cb 0.00 -1.13 -0.06 0.00 -1.01 0.00 0.00 64.21 62.01 1itq n SER 153 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ASN 155 N -0.69 6.24 0.46 0.00 0.01 -1.26 -4.46 114.94 115.23 1itq s ASN 155 Ca -0.03 2.27 0.07 0.00 -0.71 0.00 0.00 52.86 54.46 1itq s ASN 155 Cb -0.02 -2.60 -0.01 0.00 0.41 0.00 0.00 41.25 39.04 1itq s ASN 155 CO 0.02 -0.86 0.36 0.42 -1.51 0.00 0.00 177.10 175.53 1itq s THR 156 N -1.56 2.30 -1.29 1.60 -4.23 -0.28 -4.99 115.64 107.19 1itq s THR 156 Ca 0.63 -1.43 0.10 0.00 -1.18 0.00 0.00 61.69 59.80 1itq s THR 156 Cb -0.28 -2.74 0.14 0.00 1.34 0.00 0.00 72.50 70.97 1itq s THR 156 CO 0.34 0.00 1.24 -2.65 -0.54 0.00 0.00 174.62 173.01 1itq n PRO 157 N -1.58 0.10 0.00 3.99 -0.02 -1.26 -3.32 135.00 132.91 1itq n PRO 157 Ca 0.02 0.24 0.00 0.00 -2.02 0.00 0.00 63.50 61.74 1itq n PRO 157 Cb 0.63 -1.50 0.00 0.00 -0.02 0.00 0.00 33.50 32.61 1itq n PRO 157 CO 0.00 0.00 0.00 -2.67 1.98 0.00 0.00 175.50 174.81 1itq n TRP 158 N -1.36 0.00 -3.64 6.00 4.27 -1.26 -4.85 117.44 116.61 1itq n TRP 158 Ca 0.04 -0.20 -0.10 0.00 -3.89 0.00 0.00 57.50 53.36 1itq n TRP 158 Cb 0.09 -0.02 -0.07 0.00 -1.36 0.00 0.00 31.31 29.95 1itq n TRP 158 CO 0.00 0.00 0.00 0.00 -2.29 0.00 0.00 177.69 175.40 1itq s ALA 159 N -0.39 -1.89 0.13 -1.67 0.00 -1.21 -2.83 121.76 113.90 1itq s ALA 159 Ca 0.00 2.15 -0.12 0.00 0.00 0.00 0.00 51.96 53.99 1itq s ALA 159 Cb 0.00 -1.35 -0.07 0.00 0.00 0.00 0.00 23.12 21.70 1itq s ALA 159 CO 0.00 -0.34 0.50 -0.51 0.00 0.00 0.00 175.76 175.41 1itq s ASP 160 N 0.85 6.74 0.48 0.00 -0.00 -1.20 -1.13 116.67 122.41 1itq s ASP 160 Ca -0.04 0.97 0.06 0.00 -0.00 0.00 0.00 52.55 53.54 1itq s ASP 160 Cb -0.05 -2.25 0.03 0.00 -0.00 0.00 0.00 42.92 40.65 1itq s ASP 160 CO -0.08 0.11 0.66 0.54 -0.00 0.00 0.00 175.17 176.39 1itq s ASN 161 N -1.80 5.47 0.54 0.27 2.20 -1.26 -1.91 114.94 118.45 1itq s ASN 161 Ca 0.37 -0.34 0.24 0.00 -0.94 0.00 0.00 52.86 52.20 1itq s ASN 161 Cb -0.14 -0.63 1.42 0.00 -2.00 0.00 0.00 41.25 39.90 1itq s ASN 161 CO 0.19 -0.94 2.04 4.11 -2.94 0.00 0.00 177.10 179.56 1itq h TRP 162 N 0.41 0.00 0.00 1.54 5.08 -0.33 -1.46 115.95 121.19 1itq h TRP 162 Ca -0.40 0.00 0.00 0.00 1.08 0.00 0.00 58.89 59.57 1itq h TRP 162 Cb 1.28 0.00 0.00 0.00 -3.00 0.00 0.00 29.16 27.44 1itq h TRP 162 CO 0.38 0.00 0.00 1.28 -1.28 0.00 0.00 178.44 178.82 1itq n LEU 163 N -4.29 0.00 0.02 0.11 4.77 -1.26 -0.82 117.00 115.52 1itq n LEU 163 Ca 0.06 0.41 -0.12 0.00 -0.03 0.00 0.00 56.01 56.32 1itq n LEU 163 Cb 0.45 -0.41 0.00 0.00 -2.33 0.00 0.00 43.42 41.13 1itq n LEU 163 CO 0.34 -0.35 0.35 0.58 -1.33 0.00 0.00 177.39 176.98 1itq h VAL 164 N 0.00 1.34 0.00 4.08 2.07 -1.40 -0.50 116.25 121.84 1itq h VAL 164 Ca 0.00 -2.02 0.00 0.00 0.82 0.00 0.00 66.70 65.50 1itq h VAL 164 Cb 0.06 2.00 0.00 0.00 -1.52 0.00 0.00 31.29 31.84 1itq h VAL 164 CO 0.00 0.62 0.00 0.47 0.02 0.00 0.00 177.57 178.68 1itq n ASP 165 N -3.89 0.00 -0.03 0.57 10.43 -0.00 -2.44 116.55 121.18 1itq n ASP 165 Ca -0.05 -0.04 0.07 0.00 2.57 0.00 0.00 54.79 57.34 1itq n ASP 165 Cb 0.70 -0.31 -0.07 0.00 1.84 0.00 0.00 41.12 43.28 1itq n ASP 165 CO 0.00 0.00 0.00 0.35 -1.07 0.00 0.00 177.20 176.48 1itq n THR 166 N -1.31 0.00 0.00 -3.53 -2.24 -1.18 -4.99 114.28 101.03 1itq n THR 166 Ca 0.12 -0.19 0.00 0.00 -2.27 0.00 0.00 64.05 61.72 1itq n THR 166 Cb 0.23 1.02 0.00 0.00 -2.10 0.00 0.00 70.33 69.47 1itq n THR 166 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1itq n GLY 167 N 1.31 1.44 0.24 3.38 0.00 -1.02 -4.95 105.19 105.58 1itq n GLY 167 Ca 0.03 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 45.94 1itq n GLY 167 CO 0.00 0.00 0.00 -0.55 0.00 0.00 0.00 173.32 172.77 1itq h ASP 168 N 0.00 0.79 -3.07 1.61 3.45 -1.61 -3.43 116.42 114.16 1itq h ASP 168 Ca 0.00 -0.33 -0.66 0.00 0.43 0.00 0.00 57.03 56.46 1itq h ASP 168 Cb 0.00 -0.21 -0.11 0.00 -0.56 0.00 0.00 39.33 38.45 1itq h ASP 168 CO 0.00 0.93 -0.57 -0.44 -1.57 0.00 0.00 179.24 177.60 1itq s SER 169 N -6.34 5.71 0.14 6.45 0.01 -0.27 -4.99 113.70 114.40 1itq s SER 169 Ca -0.13 0.22 -0.23 0.00 1.31 0.00 0.00 55.95 57.12 1itq s SER 169 Cb 0.11 -1.68 -0.08 0.00 0.21 0.00 0.00 66.02 64.58 1itq s SER 169 CO 0.81 0.33 0.70 -1.61 0.41 0.00 0.00 173.24 173.89 1itq s GLU 170 N -1.34 4.43 0.07 12.44 2.02 -1.26 -4.02 118.70 131.03 1itq s GLU 170 Ca 0.19 1.00 -0.31 0.00 0.02 0.00 0.00 54.97 55.87 1itq s GLU 170 Cb -0.12 -3.23 -0.08 0.00 0.10 0.00 0.00 34.13 30.80 1itq s GLU 170 CO 0.09 0.59 1.72 -1.25 0.02 0.00 0.00 175.26 176.42 1itq s PRO 171 N -1.19 4.18 -0.18 0.39 0.04 -1.26 -4.90 135.00 132.08 1itq s PRO 171 Ca 0.34 2.40 -0.12 0.00 0.04 0.00 0.00 61.00 63.66 1itq s PRO 171 Cb -0.22 -3.69 -0.08 0.00 0.04 0.00 0.00 34.50 30.56 1itq s PRO 171 CO 0.24 -0.79 -0.28 0.94 0.04 0.00 0.00 177.00 177.15 1itq n GLN 172 N 5.95 0.44 0.01 4.56 7.27 -1.26 -4.72 117.38 129.63 1itq n GLN 172 Ca 0.17 0.19 0.11 0.00 0.07 0.00 0.00 57.00 57.53 1itq n GLN 172 Cb 0.40 -1.26 -0.08 0.00 2.41 0.00 0.00 30.24 31.72 1itq n GLN 172 CO 0.00 0.00 0.00 0.43 0.07 0.00 0.00 177.06 177.56 1itq n SER 173 N -4.09 0.62 -3.65 1.69 7.64 -1.26 -4.98 113.62 109.60 1itq n SER 173 Ca -0.30 -0.49 -0.21 0.00 1.01 0.00 0.00 58.87 58.88 1itq n SER 173 Cb 0.65 1.16 0.05 0.00 -1.01 0.00 0.00 64.21 65.05 1itq n SER 173 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq n GLN 174 N -1.83 -5.41 0.00 1.43 1.13 -1.26 -4.18 117.38 107.26 1itq n GLN 174 Ca 0.01 0.68 0.00 0.00 -1.94 0.00 0.00 57.00 55.75 1itq n GLN 174 Cb 0.42 -5.37 0.00 0.00 0.11 0.00 0.00 30.24 25.40 1itq n GLN 174 CO 0.00 0.00 0.00 0.41 -1.44 0.00 0.00 177.06 176.03 1itq n GLY 175 N -1.49 0.32 3.41 1.08 0.00 -1.26 -4.78 105.19 102.46 1itq n GLY 175 Ca -0.27 -1.26 -0.33 0.00 0.00 0.00 0.00 46.02 44.16 1itq n GLY 175 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 1itq s LEU 176 N 0.00 2.68 0.84 0.99 1.43 -1.26 -3.28 118.68 120.08 1itq s LEU 176 Ca 0.00 -0.29 -0.13 0.00 -1.03 0.00 0.00 54.13 52.69 1itq s LEU 176 Cb 0.00 -1.57 0.11 0.00 0.03 0.00 0.00 46.19 44.76 1itq s LEU 176 CO 0.00 0.25 1.21 -0.94 0.23 0.00 0.00 176.35 177.09 1itq s SER 177 N -0.13 4.19 0.46 2.29 1.04 -1.13 -4.76 113.70 115.65 1itq s SER 177 Ca -0.01 0.64 0.13 0.00 0.48 0.00 0.00 55.95 57.18 1itq s SER 177 Cb -0.14 -1.03 1.07 0.00 0.10 0.00 0.00 66.02 66.02 1itq s SER 177 CO 0.03 -2.09 2.06 -0.65 0.98 0.00 0.00 173.24 173.58 1itq h PRO 178 N -1.17 0.30 -0.16 4.02 0.11 -1.96 0.06 132.00 133.20 1itq h PRO 178 Ca -0.45 -0.02 -0.18 0.00 0.11 0.00 0.00 66.00 65.45 1itq h PRO 178 Cb 1.31 -0.07 -0.00 0.00 0.11 0.00 0.00 31.00 32.35 1itq h PRO 178 CO 0.59 0.20 -0.65 0.35 -0.21 0.00 0.00 178.00 178.28 1itq h PHE 179 N 0.31 0.78 -0.64 0.65 3.04 -1.93 -2.70 116.94 116.45 1itq h PHE 179 Ca 0.15 -0.31 -0.00 0.00 3.98 0.00 0.00 57.97 61.79 1itq h PHE 179 Cb 0.20 -0.13 -0.03 0.00 2.56 0.00 0.00 35.95 38.55 1itq h PHE 179 CO -0.00 1.08 0.40 0.78 -2.02 0.00 0.00 178.31 178.54 1itq h GLY 180 N 0.98 0.91 1.32 2.40 0.00 -1.31 0.27 103.07 107.64 1itq h GLY 180 Ca -0.01 -0.36 -0.06 0.00 0.00 0.00 0.00 47.33 46.90 1itq h GLY 180 CO 0.12 0.35 0.10 1.46 0.00 0.00 0.00 176.54 178.57 1itq h GLN 181 N 0.87 0.85 -0.13 4.80 4.20 -0.81 -0.01 115.11 124.88 1itq h GLN 181 Ca 0.23 -0.19 -0.15 0.00 0.06 0.00 0.00 58.65 58.60 1itq h GLN 181 Cb -0.05 -0.12 -0.01 0.00 0.30 0.00 0.00 27.48 27.60 1itq h GLN 181 CO -0.05 0.79 -0.55 0.00 -0.67 0.00 0.00 178.83 178.35 1itq h ARG 182 N 0.81 0.39 -0.07 1.46 3.08 -0.97 0.23 114.38 119.32 1itq h ARG 182 Ca 0.17 -0.25 -0.00 0.00 0.07 0.00 0.00 59.98 59.97 1itq h ARG 182 Cb 0.35 0.03 -0.00 0.00 0.08 0.00 0.00 29.97 30.42 1itq h ARG 182 CO 0.00 0.84 0.03 0.28 -1.07 0.00 0.00 179.97 180.06 1itq h VAL 183 N 0.30 1.10 -0.91 2.04 2.07 -0.24 0.50 116.25 121.11 1itq h VAL 183 Ca 0.00 -0.28 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 1itq h VAL 183 Cb 1.06 1.16 -0.04 0.00 -1.52 0.00 0.00 31.29 31.95 1itq h VAL 183 CO 0.09 0.08 0.50 0.58 0.02 0.00 0.00 177.57 178.85 1itq h VAL 184 N -0.00 1.26 -0.57 2.57 2.07 -0.89 0.16 116.25 120.85 1itq h VAL 184 Ca 0.02 -0.63 -0.10 0.00 0.82 0.00 0.00 66.70 66.81 1itq h VAL 184 Cb 0.10 0.02 -0.02 0.00 -1.52 0.00 0.00 31.29 29.88 1itq h VAL 184 CO -0.00 0.29 -0.05 0.50 0.02 0.00 0.00 177.57 178.32 1itq h LYS 185 N 1.26 1.03 -0.44 1.57 3.64 -0.58 -1.90 116.57 121.15 1itq h LYS 185 Ca 0.32 -0.35 -0.08 0.00 -1.27 0.00 0.00 60.65 59.27 1itq h LYS 185 Cb 0.01 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 31.74 1itq h LYS 185 CO -0.05 1.04 -0.04 1.49 -2.27 0.00 0.00 179.45 179.61 1itq h GLU 186 N 0.93 0.80 -0.98 1.90 4.57 0.78 -1.63 114.58 120.94 1itq h GLU 186 Ca 0.16 -0.27 0.04 0.00 -1.18 0.00 0.00 59.36 58.10 1itq h GLU 186 Cb 0.61 -0.06 -0.06 0.00 -0.16 0.00 0.00 28.75 29.08 1itq h GLU 186 CO 0.04 0.88 0.64 -0.07 -1.18 0.00 0.00 179.01 179.32 1itq h LEU 187 N 0.63 1.06 -0.22 1.64 3.38 -0.48 0.12 115.31 121.44 1itq h LEU 187 Ca 0.12 -0.01 -0.05 0.00 0.09 0.00 0.00 57.88 58.03 1itq h LEU 187 Cb 0.55 -0.24 -0.01 0.00 0.09 0.00 0.00 40.66 41.05 1itq h LEU 187 CO 0.03 0.72 -0.04 0.78 0.09 0.00 0.00 178.44 180.02 1itq h ASN 188 N 1.23 0.42 -0.49 -0.43 -0.26 -1.21 -0.05 115.58 114.79 1itq h ASN 188 Ca 0.39 -0.35 0.02 0.00 -0.56 0.00 0.00 56.30 55.80 1itq h ASN 188 Cb 0.02 -0.11 -0.03 0.00 -1.06 0.00 0.00 38.32 37.13 1itq h ASN 188 CO -0.13 0.68 0.28 -0.09 -1.06 0.00 0.00 177.43 177.11 1itq h ARG 189 N 0.16 0.55 -0.26 0.81 2.43 -0.71 -2.70 114.38 114.66 1itq h ARG 189 Ca 0.06 -0.03 -0.13 0.00 -0.81 0.00 0.00 59.98 59.07 1itq h ARG 189 Cb 0.48 -0.12 -0.01 0.00 -0.42 0.00 0.00 29.97 29.90 1itq h ARG 189 CO 0.02 0.36 -0.37 -0.07 -1.51 0.00 0.00 179.97 178.40 1itq h LEU 190 N 0.57 0.63 -0.07 3.80 3.38 -0.70 0.16 115.31 123.08 1itq h LEU 190 Ca 0.20 -0.27 0.00 0.00 0.09 0.00 0.00 57.88 57.90 1itq h LEU 190 Cb 0.03 -0.18 0.00 0.00 0.09 0.00 0.00 40.66 40.60 1itq h LEU 190 CO -0.09 0.94 0.00 0.61 0.09 0.00 0.00 178.44 179.99 1itq n GLY 191 N -0.06 1.21 3.68 0.83 0.00 -0.19 -4.84 105.19 105.82 1itq n GLY 191 Ca -0.01 -0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.58 1itq n GLY 191 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1itq s VAL 192 N -2.07 4.79 0.18 1.61 1.01 -0.31 -4.70 120.40 120.91 1itq s VAL 192 Ca 0.00 -0.04 -0.31 0.00 0.00 0.00 0.00 61.98 61.63 1itq s VAL 192 Cb 0.00 -3.12 -0.09 0.00 0.00 0.00 0.00 36.38 33.17 1itq s VAL 192 CO 0.00 0.51 1.40 -0.76 0.00 0.00 0.00 175.10 176.26 1itq s LEU 193 N -0.08 4.39 -0.29 3.92 1.43 -0.37 -4.55 118.68 123.13 1itq s LEU 193 Ca 0.07 2.48 -0.19 0.00 -1.03 0.00 0.00 54.13 55.46 1itq s LEU 193 Cb -0.12 -3.60 -0.02 0.00 0.03 0.00 0.00 46.19 42.48 1itq s LEU 193 CO 0.01 -0.65 0.57 -0.63 0.23 0.00 0.00 176.35 175.88 1itq s ILE 194 N 0.50 5.00 -0.21 -0.59 1.01 -1.26 -2.03 121.20 123.61 1itq s ILE 194 Ca 0.61 0.80 -0.12 0.00 0.00 0.00 0.00 60.65 61.95 1itq s ILE 194 Cb -0.39 -3.93 -0.05 0.00 0.01 0.00 0.00 42.46 38.11 1itq s ILE 194 CO 0.36 -0.06 0.21 -0.62 0.00 0.00 0.00 174.94 174.84 1itq s ASP 195 N 1.61 6.24 -0.05 3.58 3.68 -0.73 -0.91 116.67 130.09 1itq s ASP 195 Ca 0.23 0.26 0.19 0.00 2.13 0.00 0.00 52.55 55.36 1itq s ASP 195 Cb -0.15 -2.13 0.63 0.00 -1.45 0.00 0.00 42.92 39.81 1itq s ASP 195 CO 0.11 0.07 1.53 0.18 0.13 0.00 0.00 175.17 177.19 1itq n LEU 196 N 4.05 4.15 -4.77 -1.34 4.77 0.31 -2.57 117.00 121.60 1itq n LEU 196 Ca -0.14 -2.23 -0.39 0.00 -0.03 0.00 0.00 56.01 53.23 1itq n LEU 196 Cb 0.52 -0.49 -0.01 0.00 -2.33 0.00 0.00 43.42 41.10 1itq n LEU 196 CO 0.37 0.87 0.88 0.00 -1.33 0.00 0.00 177.39 178.18 1itq s ALA 197 N -1.43 3.17 0.00 -1.18 0.00 -1.26 -3.03 121.76 118.03 1itq s ALA 197 Ca 0.46 1.05 0.00 0.00 0.00 0.00 0.00 51.96 53.47 1itq s ALA 197 Cb 0.27 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.98 1itq s ALA 197 CO 0.26 -0.63 0.00 0.72 0.00 0.00 0.00 175.76 176.11 1itq n HIS 198 N 0.05 0.00 -2.44 0.00 8.25 -1.26 -4.61 115.22 115.22 1itq n HIS 198 Ca 0.04 0.00 -0.28 0.00 -0.26 0.00 0.00 57.72 57.23 1itq n HIS 198 Cb 0.46 -0.11 0.01 0.00 1.12 0.00 0.00 29.99 31.47 1itq n HIS 198 CO 0.00 0.00 0.00 0.14 0.64 0.00 0.00 176.34 177.12 1itq s VAL 199 N -2.48 4.34 0.82 1.59 -7.23 -1.17 0.18 120.40 116.44 1itq s VAL 199 Ca 0.00 0.20 -0.11 0.00 -1.81 0.00 0.00 61.98 60.25 1itq s VAL 199 Cb 0.00 -3.69 0.08 0.00 0.56 0.00 0.00 36.38 33.34 1itq s VAL 199 CO 0.00 -0.72 1.10 -0.94 -0.31 0.00 0.00 175.10 174.23 1itq s SER 200 N -4.20 4.26 0.29 4.85 1.04 -0.81 -3.61 113.70 115.53 1itq s SER 200 Ca 0.51 1.34 -0.01 0.00 0.48 0.00 0.00 55.95 58.28 1itq s SER 200 Cb -0.10 -2.06 0.44 0.00 0.10 0.00 0.00 66.02 64.39 1itq s SER 200 CO 0.46 -2.12 1.87 0.58 0.98 0.00 0.00 173.24 175.01 1itq h VAL 201 N -1.19 1.21 -0.64 5.02 2.07 -1.92 -1.23 116.25 119.57 1itq h VAL 201 Ca -0.48 -0.70 -0.03 0.00 0.82 0.00 0.00 66.70 66.31 1itq h VAL 201 Cb 1.27 0.54 -0.03 0.00 -1.52 0.00 0.00 31.29 31.56 1itq h VAL 201 CO 0.58 0.27 0.26 0.00 0.02 0.00 0.00 177.57 178.71 1itq h ALA 202 N 1.39 1.26 -0.23 1.67 0.00 -1.92 -0.15 119.26 121.28 1itq h ALA 202 Ca 0.20 -0.16 -0.19 0.00 0.00 0.00 0.00 54.91 54.75 1itq h ALA 202 Cb 0.20 -0.26 0.00 0.00 0.00 0.00 0.00 17.79 17.73 1itq h ALA 202 CO -0.01 0.55 -0.62 1.15 0.00 0.00 0.00 179.25 180.32 1itq h THR 203 N 0.92 1.29 0.20 0.00 2.02 -1.72 0.16 112.91 115.78 1itq h THR 203 Ca 0.22 -1.83 -0.01 0.00 0.77 0.00 0.00 66.41 65.56 1itq h THR 203 Cb 0.17 1.77 -0.00 0.00 -1.74 0.00 0.00 68.15 68.34 1itq h THR 203 CO -0.02 0.59 -0.11 0.24 0.37 0.00 0.00 175.52 176.58 1itq h MET 204 N 0.58 -0.28 -0.40 6.66 0.00 -0.75 0.74 114.93 121.48 1itq h MET 204 Ca -0.01 0.02 -0.03 0.00 0.00 0.00 0.00 59.70 59.69 1itq h MET 204 Cb 1.22 0.06 -0.02 0.00 0.00 0.00 0.00 31.60 32.87 1itq h MET 204 CO 0.13 -0.19 0.15 0.87 0.00 0.00 0.00 176.91 177.87 1itq h LYS 205 N -0.29 0.60 -0.48 1.72 1.57 -0.97 -0.30 116.57 118.42 1itq h LYS 205 Ca -0.02 -0.11 0.02 0.00 -1.87 0.00 0.00 60.65 58.66 1itq h LYS 205 Cb 0.24 -0.09 -0.03 0.00 0.08 0.00 0.00 32.23 32.42 1itq h LYS 205 CO 0.03 0.58 0.29 0.00 -0.57 0.00 0.00 179.45 179.78 1itq h ALA 206 N 0.99 0.61 -0.23 3.86 0.00 -0.51 -2.14 119.26 121.85 1itq h ALA 206 Ca 0.13 -0.02 -0.16 0.00 0.00 0.00 0.00 54.91 54.87 1itq h ALA 206 Cb 0.21 -0.15 -0.01 0.00 0.00 0.00 0.00 17.79 17.84 1itq h ALA 206 CO -0.01 0.00 -0.50 1.15 0.00 0.00 0.00 179.25 179.90 1itq h THR 207 N 0.59 1.31 -0.36 0.00 2.02 -0.73 -1.48 112.91 114.27 1itq h THR 207 Ca 0.19 -1.71 -0.06 0.00 0.77 0.00 0.00 66.41 65.59 1itq h THR 207 Cb -0.01 1.66 -0.02 0.00 -1.74 0.00 0.00 68.15 68.04 1itq h THR 207 CO -0.07 0.54 -0.04 -0.07 0.37 0.00 0.00 175.52 176.25 1itq h LEU 208 N 0.49 0.56 -0.01 2.58 3.38 -0.78 0.46 115.31 121.99 1itq h LEU 208 Ca 0.02 -0.13 -0.12 0.00 0.09 0.00 0.00 57.88 57.75 1itq h LEU 208 Cb 1.04 -0.15 0.01 0.00 0.09 0.00 0.00 40.66 41.65 1itq h LEU 208 CO 0.10 0.66 -0.45 1.56 0.09 0.00 0.00 178.44 180.39 1itq h GLN 209 N 0.55 0.32 -0.15 1.13 1.08 -1.33 -3.37 115.11 113.35 1itq h GLN 209 Ca 0.11 -0.33 -0.12 0.00 -1.45 0.00 0.00 58.65 56.86 1itq h GLN 209 Cb 0.42 0.09 0.00 0.00 -0.05 0.00 0.00 27.48 27.94 1itq h GLN 209 CO 0.02 1.02 -0.35 1.25 -0.95 0.00 0.00 178.83 179.82 1itq h LEU 210 N -0.25 0.58 -9.67 1.46 5.85 -1.09 -3.46 115.31 108.73 1itq h LEU 210 Ca -0.05 -0.57 -0.55 0.00 0.84 0.00 0.00 57.88 57.55 1itq h LEU 210 Cb 1.17 -0.17 0.07 0.00 0.37 0.00 0.00 40.66 42.11 1itq h LEU 210 CO 0.09 1.04 0.84 -0.24 -0.34 0.00 0.00 178.44 179.83 1itq n SER 211 N -4.33 3.54 0.04 1.25 2.88 0.16 -4.88 113.62 112.28 1itq n SER 211 Ca -0.07 1.11 0.13 0.00 -1.33 0.00 0.00 58.87 58.72 1itq n SER 211 Cb 0.51 -1.53 0.44 0.00 -0.75 0.00 0.00 64.21 62.89 1itq n SER 211 CO 0.00 0.00 0.00 -1.14 -1.23 0.00 0.00 175.04 172.67 1itq n ARG 212 N 2.78 0.12 -4.33 -1.46 0.63 -1.26 -4.87 116.66 108.27 1itq n ARG 212 Ca 0.12 0.08 -0.17 0.00 -0.92 0.00 0.00 57.85 56.96 1itq n ARG 212 Cb 0.34 -1.62 -0.10 0.00 0.45 0.00 0.00 32.46 31.53 1itq n ARG 212 CO 0.00 0.00 0.00 0.00 -2.51 0.00 0.00 177.63 175.12 1itq s ALA 213 N -3.05 1.84 0.36 5.13 0.00 -1.26 -5.01 121.76 119.77 1itq s ALA 213 Ca 0.12 -1.74 -0.28 0.00 0.00 0.00 0.00 51.96 50.05 1itq s ALA 213 Cb 0.16 0.36 -0.11 0.00 0.00 0.00 0.00 23.12 23.53 1itq s ALA 213 CO 0.60 -0.19 1.50 -2.14 0.00 0.00 0.00 175.76 175.53 1itq s PRO 214 N -3.82 4.12 0.33 0.00 0.02 -1.26 -5.03 135.00 129.36 1itq s PRO 214 Ca 0.27 2.56 0.04 0.00 0.02 0.00 0.00 61.00 63.89 1itq s PRO 214 Cb 0.05 -2.98 0.04 0.00 0.02 0.00 0.00 34.50 31.63 1itq s PRO 214 CO 0.08 -0.54 0.36 1.33 -0.33 0.00 0.00 177.00 177.91 1itq n VAL 215 N 0.78 0.00 -3.97 3.83 0.24 -1.26 -4.63 118.33 113.32 1itq n VAL 215 Ca 0.02 -1.17 -0.10 0.00 -2.04 0.00 0.00 64.34 61.06 1itq n VAL 215 Cb 0.39 -0.51 -0.07 0.00 -1.47 0.00 0.00 33.84 32.18 1itq n VAL 215 CO 0.00 0.00 0.00 0.27 -2.14 0.00 0.00 176.83 174.96 1itq s ILE 216 N -1.27 0.05 -0.33 1.34 -4.36 -0.09 -2.52 121.20 114.01 1itq s ILE 216 Ca 0.28 -1.41 0.00 0.00 -0.26 0.00 0.00 60.65 59.26 1itq s ILE 216 Cb -0.02 -1.93 0.10 0.00 1.25 0.00 0.00 42.46 41.86 1itq s ILE 216 CO 0.18 -0.22 0.10 -0.36 0.24 0.00 0.00 174.94 174.87 1itq s PHE 217 N -3.98 2.15 0.45 1.37 0.40 -0.56 0.11 117.98 117.91 1itq s PHE 217 Ca 0.19 -2.05 0.29 0.00 -0.60 0.00 0.00 56.93 54.76 1itq s PHE 217 Cb 0.03 -1.98 1.56 0.00 0.51 0.00 0.00 43.02 43.14 1itq s PHE 217 CO 0.02 -0.88 2.12 0.66 0.70 0.00 0.00 175.22 177.83 1itq h SER 218 N 7.88 0.00 -0.23 1.36 4.64 -1.87 0.65 113.55 125.98 1itq h SER 218 Ca -0.11 0.00 -0.25 0.00 -0.47 0.00 0.00 61.79 60.96 1itq h SER 218 Cb 1.01 0.00 -0.16 0.00 -0.31 0.00 0.00 62.40 62.93 1itq h SER 218 CO 0.48 0.09 -0.55 0.00 -0.87 0.00 0.00 176.83 175.98 1itq n HIS 219 N -3.63 -3.09 -4.13 4.77 1.44 -1.09 -3.85 115.22 105.65 1itq n HIS 219 Ca -0.02 -1.91 -0.15 0.00 -2.01 0.00 0.00 57.72 53.63 1itq n HIS 219 Cb 0.20 1.38 -0.14 0.00 0.12 0.00 0.00 29.99 31.56 1itq n HIS 219 CO 0.00 0.00 0.00 -1.12 -2.81 0.00 0.00 176.34 172.41 1itq s SER 220 N -1.56 0.62 0.05 4.39 0.01 0.87 -4.50 113.70 113.58 1itq s SER 220 Ca 0.32 -0.17 0.00 0.00 1.31 0.00 0.00 55.95 57.42 1itq s SER 220 Cb 0.22 -0.05 0.00 0.00 0.21 0.00 0.00 66.02 66.40 1itq s SER 220 CO -0.23 0.01 0.04 -1.20 0.41 0.00 0.00 173.24 172.27 1itq n SER 221 N 2.71 1.21 -4.70 2.44 7.64 -1.26 -3.39 113.62 118.27 1itq n SER 221 Ca -0.14 -1.18 -0.42 0.00 1.01 0.00 0.00 58.87 58.14 1itq n SER 221 Cb 0.58 -0.00 -0.03 0.00 -1.01 0.00 0.00 64.21 63.74 1itq n SER 221 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ALA 222 N -2.07 3.34 0.31 -0.43 0.00 -1.26 -0.75 121.76 120.89 1itq s ALA 222 Ca 0.03 0.33 0.13 0.00 0.00 0.00 0.00 51.96 52.44 1itq s ALA 222 Cb -0.00 -3.29 0.58 0.00 0.00 0.00 0.00 23.12 20.41 1itq s ALA 222 CO 0.02 -0.41 1.74 -0.92 0.00 0.00 0.00 175.76 176.18 1itq h TYR 223 N 6.99 0.00 -0.26 0.00 5.03 -1.42 -2.29 116.97 125.02 1itq h TYR 223 Ca -0.35 0.00 -0.13 0.00 2.58 0.00 0.00 58.73 60.83 1itq h TYR 223 Cb 1.18 0.00 -0.01 0.00 1.55 0.00 0.00 36.73 39.44 1itq h TYR 223 CO 0.69 0.47 -0.37 0.77 -1.32 0.00 0.00 178.16 178.40 1itq h SER 224 N 0.00 0.61 0.81 -2.11 0.02 -1.93 -2.70 113.55 108.24 1itq h SER 224 Ca -0.00 -0.26 -0.24 0.00 -0.84 0.00 0.00 61.79 60.44 1itq h SER 224 Cb 0.85 -0.17 -0.01 0.00 0.14 0.00 0.00 62.40 63.21 1itq h SER 224 CO 0.06 0.93 -1.12 0.58 -1.14 0.00 0.00 176.83 176.14 1itq h VAL 225 N 0.48 1.60 -2.40 2.27 2.07 -1.94 -3.43 116.25 114.91 1itq h VAL 225 Ca 0.05 -3.22 -0.21 0.00 0.82 0.00 0.00 66.70 64.13 1itq h VAL 225 Cb 0.87 2.89 -0.32 0.00 -1.52 0.00 0.00 31.29 33.21 1itq h VAL 225 CO 0.07 0.93 -0.52 0.00 0.02 0.00 0.00 177.57 178.08 1itq n ALA 227 N 5.35 4.04 -2.72 0.00 0.00 -1.03 -3.99 120.51 122.16 1itq n ALA 227 Ca -0.05 -1.35 -0.37 0.00 0.00 0.00 0.00 53.44 51.66 1itq n ALA 227 Cb 0.50 -2.61 -0.06 0.00 0.00 0.00 0.00 19.45 17.28 1itq n ALA 227 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1itq s SER 228 N 3.00 6.55 0.00 0.00 0.15 -1.26 -4.96 113.70 117.18 1itq s SER 228 Ca 0.35 0.65 0.20 0.00 0.70 0.00 0.00 55.95 57.85 1itq s SER 228 Cb 0.13 -2.15 1.15 0.00 -1.71 0.00 0.00 66.02 63.44 1itq s SER 228 CO -0.01 0.34 1.60 0.54 1.20 0.00 0.00 173.24 176.91 1itq n ARG 229 N 2.13 0.53 0.00 5.44 5.12 -1.26 -0.27 116.66 128.36 1itq n ARG 229 Ca -0.17 0.03 0.13 0.00 -1.93 0.00 0.00 57.85 55.92 1itq n ARG 229 Cb 0.54 -1.50 0.42 0.00 -1.16 0.00 0.00 32.46 30.75 1itq n ARG 229 CO 0.00 0.00 0.00 0.54 -1.93 0.00 0.00 177.63 176.24 1itq n ARG 230 N -1.08 1.56 -4.15 5.56 5.12 -1.26 -4.83 116.66 117.58 1itq n ARG 230 Ca 0.13 -0.99 -0.24 0.00 -1.93 0.00 0.00 57.85 54.82 1itq n ARG 230 Cb 0.09 -1.48 -0.06 0.00 -1.16 0.00 0.00 32.46 29.86 1itq n ARG 230 CO 0.00 0.00 0.00 -0.80 -1.93 0.00 0.00 177.63 174.90 1itq s ASN 231 N -2.12 5.23 -0.27 0.55 0.02 0.63 -4.30 114.94 114.68 1itq s ASN 231 Ca 0.33 -0.30 -0.22 0.00 -1.02 0.00 0.00 52.86 51.66 1itq s ASN 231 Cb 0.20 -1.26 -0.01 0.00 0.02 0.00 0.00 41.25 40.21 1itq s ASN 231 CO 0.38 0.03 0.71 -0.69 0.02 0.00 0.00 177.10 177.55 1itq s VAL 232 N -1.95 4.90 0.73 1.60 1.01 0.07 -4.61 120.40 122.14 1itq s VAL 232 Ca 0.31 1.19 -0.11 0.00 0.00 0.00 0.00 61.98 63.37 1itq s VAL 232 Cb -0.09 -4.04 0.03 0.00 0.00 0.00 0.00 36.38 32.29 1itq s VAL 232 CO 0.22 -0.09 1.08 -2.16 0.00 0.00 0.00 175.10 174.15 1itq s PRO 233 N 2.71 2.61 0.33 2.72 0.04 -1.26 -1.57 135.00 140.58 1itq s PRO 233 Ca 0.29 1.07 0.02 0.00 0.04 0.00 0.00 61.00 62.42 1itq s PRO 233 Cb -0.15 -1.94 0.58 0.00 0.04 0.00 0.00 34.50 33.03 1itq s PRO 233 CO 0.10 -1.36 1.96 -0.44 0.04 0.00 0.00 177.00 177.30 1itq h ASP 234 N -0.88 0.82 0.24 6.66 3.45 -1.97 -1.47 116.42 123.27 1itq h ASP 234 Ca -0.44 -0.01 -0.08 0.00 0.43 0.00 0.00 57.03 56.94 1itq h ASP 234 Cb 1.22 -0.19 -0.01 0.00 -0.56 0.00 0.00 39.33 39.79 1itq h ASP 234 CO 0.54 0.56 -0.31 -2.24 -1.57 0.00 0.00 179.24 176.22 1itq h ASP 235 N 0.95 0.11 0.01 6.45 2.03 -2.00 -1.76 116.42 122.22 1itq h ASP 235 Ca 0.31 -0.04 -0.25 0.00 -0.73 0.00 0.00 57.03 56.32 1itq h ASP 235 Cb 0.05 -0.03 0.02 0.00 -0.83 0.00 0.00 39.33 38.54 1itq h ASP 235 CO -0.09 0.43 -0.97 0.58 -1.03 0.00 0.00 179.24 178.16 1itq h VAL 236 N 0.10 1.29 -0.24 4.15 2.07 -1.81 -2.88 116.25 118.94 1itq h VAL 236 Ca 0.01 -2.20 0.02 0.00 0.82 0.00 0.00 66.70 65.35 1itq h VAL 236 Cb 0.61 2.29 -0.01 0.00 -1.52 0.00 0.00 31.29 32.65 1itq h VAL 236 CO 0.04 0.68 0.16 -0.07 0.02 0.00 0.00 177.57 178.41 1itq h LEU 237 N 0.41 0.21 -0.80 2.57 3.38 -0.89 0.42 115.31 120.61 1itq h LEU 237 Ca -0.10 -0.00 -0.10 0.00 0.09 0.00 0.00 57.88 57.76 1itq h LEU 237 Cb 1.61 -0.05 -0.01 0.00 0.09 0.00 0.00 40.66 42.29 1itq h LEU 237 CO 0.19 0.15 -0.50 0.03 0.09 0.00 0.00 178.44 178.40 1itq h ARG 238 N 0.25 0.00 -0.06 1.13 3.08 -1.20 -0.45 114.38 117.13 1itq h ARG 238 Ca 0.10 0.00 -0.23 0.00 0.07 0.00 0.00 59.98 59.91 1itq h ARG 238 Cb 0.08 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.14 1itq h ARG 238 CO -0.02 0.50 -0.90 -0.07 -1.07 0.00 0.00 179.97 178.41 1itq h LEU 239 N 0.00 0.77 -0.37 3.04 3.38 -0.43 -1.34 115.31 120.37 1itq h LEU 239 Ca -0.00 -0.57 0.02 0.00 0.09 0.00 0.00 57.88 57.42 1itq h LEU 239 Cb 1.02 -0.23 -0.03 0.00 0.09 0.00 0.00 40.66 41.51 1itq h LEU 239 CO 0.06 1.36 0.21 0.58 0.09 0.00 0.00 178.44 180.74 1itq h VAL 240 N 0.38 1.02 -0.36 1.22 2.07 0.18 -0.13 116.25 120.63 1itq h VAL 240 Ca -0.08 -0.14 -0.04 0.00 0.82 0.00 0.00 66.70 67.26 1itq h VAL 240 Cb 1.53 0.56 -0.01 0.00 -1.52 0.00 0.00 31.29 31.84 1itq h VAL 240 CO 0.17 0.08 0.08 0.50 0.02 0.00 0.00 177.57 178.42 1itq h LYS 241 N 0.42 0.59 -1.01 1.57 3.64 -1.05 0.27 116.57 121.01 1itq h LYS 241 Ca 0.15 -0.14 0.04 0.00 -1.27 0.00 0.00 60.65 59.43 1itq h LYS 241 Cb 0.03 -0.08 -0.06 0.00 -0.41 0.00 0.00 32.23 31.71 1itq h LYS 241 CO -0.09 0.63 0.66 0.37 -2.27 0.00 0.00 179.45 178.75 1itq h GLN 242 N 0.44 1.21 -0.01 1.90 4.15 -0.77 -2.00 115.11 120.04 1itq h GLN 242 Ca 0.11 -0.07 0.00 0.00 0.77 0.00 0.00 58.65 59.46 1itq h GLN 242 Cb 0.31 -0.27 0.00 0.00 0.21 0.00 0.00 27.48 27.73 1itq h GLN 242 CO 0.00 0.80 -0.28 0.25 -1.93 0.00 0.00 178.83 177.67 1itq n THR 243 N -4.46 0.00 -3.28 2.39 -2.24 -0.10 -4.95 114.28 101.64 1itq n THR 243 Ca 0.14 -0.14 -0.18 0.00 -2.27 0.00 0.00 64.05 61.60 1itq n THR 243 Cb 0.12 0.47 0.06 0.00 -2.10 0.00 0.00 70.33 68.88 1itq n THR 243 CO 0.00 0.00 0.00 -0.67 -0.57 0.00 0.00 175.07 173.83 1itq n ASP 244 N -0.61 -5.39 -3.01 3.42 2.03 0.23 -4.61 116.55 108.62 1itq n ASP 244 Ca 0.12 -0.39 0.00 0.00 0.52 0.00 0.00 54.79 55.04 1itq n ASP 244 Cb 0.36 -4.02 0.00 0.00 -0.72 0.00 0.00 41.12 36.74 1itq n ASP 244 CO 0.00 0.00 0.00 -1.20 -1.92 0.00 0.00 177.20 174.08 1itq n SER 245 N -1.95 0.00 -3.74 1.67 7.64 0.72 -4.86 113.62 113.10 1itq n SER 245 Ca -0.01 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.75 1itq n SER 245 Cb 0.55 0.00 -0.11 0.00 -1.01 0.00 0.00 64.21 63.65 1itq n SER 245 CO 0.00 0.00 0.00 -0.22 -3.01 0.00 0.00 175.04 171.81 1itq s LEU 246 N 0.00 0.44 -0.23 -3.43 2.96 -1.05 -4.40 118.68 112.97 1itq s LEU 246 Ca 0.00 0.75 0.01 0.00 -0.22 0.00 0.00 54.13 54.67 1itq s LEU 246 Cb 0.00 1.23 0.03 0.00 0.50 0.00 0.00 46.19 47.95 1itq s LEU 246 CO 0.00 -0.14 -0.12 -0.69 -1.32 0.00 0.00 176.35 174.08 1itq s VAL 247 N 0.53 2.41 -0.41 1.68 1.01 -0.45 -1.49 120.40 123.67 1itq s VAL 247 Ca -0.03 -1.16 -0.15 0.00 0.00 0.00 0.00 61.98 60.64 1itq s VAL 247 Cb -0.04 -2.21 0.03 0.00 0.00 0.00 0.00 36.38 34.15 1itq s VAL 247 CO -0.03 0.25 0.30 -0.04 0.00 0.00 0.00 175.10 175.58 1itq s MET 248 N 1.25 2.96 0.20 2.72 1.00 0.23 -1.41 119.30 126.25 1itq s MET 248 Ca -0.01 -1.06 -0.32 0.00 0.00 0.00 0.00 55.69 54.30 1itq s MET 248 Cb -0.16 -3.98 -0.13 0.00 0.00 0.00 0.00 34.83 30.56 1itq s MET 248 CO -0.07 -0.78 1.63 0.28 0.00 0.00 0.00 175.02 176.08 1itq n VAL 249 N 5.15 0.18 -3.42 -6.03 0.31 -0.33 -0.09 118.33 114.10 1itq n VAL 249 Ca -0.11 -0.05 -0.37 0.00 -0.01 0.00 0.00 64.34 63.80 1itq n VAL 249 Cb 0.47 -1.77 -0.07 0.00 -0.91 0.00 0.00 33.84 31.56 1itq n VAL 249 CO 0.00 0.00 0.00 0.21 -1.32 0.00 0.00 176.83 175.72 1itq s ASN 250 N 0.93 6.54 0.00 4.52 3.84 -1.22 -1.10 114.94 128.44 1itq s ASN 250 Ca 0.75 0.64 0.28 0.00 0.21 0.00 0.00 52.86 54.73 1itq s ASN 250 Cb -0.58 -2.23 1.02 0.00 -0.55 0.00 0.00 41.25 38.90 1itq s ASN 250 CO 0.37 0.03 1.76 0.49 -2.79 0.00 0.00 177.10 176.96 1itq n PHE 251 N 3.75 0.00 -1.69 0.43 3.72 -0.73 -4.70 117.46 118.24 1itq n PHE 251 Ca -0.09 0.00 -0.58 0.00 -0.05 0.00 0.00 57.45 56.73 1itq n PHE 251 Cb 0.52 -0.33 -0.07 0.00 -0.94 0.00 0.00 39.48 38.65 1itq n PHE 251 CO 0.00 0.00 0.00 0.98 -0.05 0.00 0.00 176.76 177.69 1itq n TYR 252 N -1.34 1.92 -0.27 1.38 -0.00 -1.26 -4.12 117.16 113.47 1itq n TYR 252 Ca 0.09 0.63 0.01 0.00 -0.00 0.00 0.00 57.90 58.63 1itq n TYR 252 Cb 0.32 -2.41 0.09 0.00 -0.00 0.00 0.00 39.34 37.33 1itq n TYR 252 CO 0.00 0.00 0.00 -0.91 -0.00 0.00 0.00 176.86 175.95 1itq h ASN 253 N 6.52 -0.76 0.16 2.98 2.35 -1.81 -0.10 115.58 124.92 1itq h ASN 253 Ca -0.46 0.23 0.00 0.00 -0.55 0.00 0.00 56.30 55.52 1itq h ASN 253 Cb 1.33 0.49 0.00 0.00 0.05 0.00 0.00 38.32 40.19 1itq h ASN 253 CO 0.93 -0.26 0.00 0.59 -1.65 0.00 0.00 177.43 177.04 1itq n ASN 254 N -5.50 0.00 -0.00 5.81 4.13 -1.03 0.04 115.26 118.70 1itq n ASN 254 Ca 0.10 0.04 0.04 0.00 1.68 0.00 0.00 54.58 56.44 1itq n ASN 254 Cb 0.39 -0.23 -0.05 0.00 -1.54 0.00 0.00 39.78 38.35 1itq n ASN 254 CO 0.00 0.00 0.00 -1.22 0.28 0.00 0.00 177.26 176.32 1itq n TYR 255 N -1.23 0.00 -0.11 3.10 4.01 -0.14 -3.59 117.16 119.20 1itq n TYR 255 Ca 0.06 0.00 -0.21 0.00 -0.16 0.00 0.00 57.90 57.59 1itq n TYR 255 Cb 0.08 -0.08 -0.09 0.00 -0.31 0.00 0.00 39.34 38.93 1itq n TYR 255 CO 0.00 0.00 0.00 -0.89 -0.46 0.00 0.00 176.86 175.51 1itq n ILE 256 N -1.46 1.52 0.59 -0.72 2.08 -0.37 -4.59 119.36 116.41 1itq n ILE 256 Ca 0.00 -0.09 0.06 0.00 0.56 0.00 0.00 62.75 63.29 1itq n ILE 256 Cb 0.15 -2.06 -0.03 0.00 -0.75 0.00 0.00 39.64 36.95 1itq n ILE 256 CO 0.00 0.00 0.00 -1.54 0.56 0.00 0.00 176.55 175.57 1itq n SER 257 N -4.41 1.12 -0.42 4.38 3.41 0.11 -4.64 113.62 113.18 1itq n SER 257 Ca -0.34 -1.06 -0.05 0.00 -0.26 0.00 0.00 58.87 57.15 1itq n SER 257 Cb 0.68 0.66 -0.02 0.00 -0.26 0.00 0.00 64.21 65.27 1itq n SER 257 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 175.04 174.88 1itq s THR 259 N -1.92 0.00 0.30 0.00 -1.32 -1.26 -4.90 115.64 106.54 1itq s THR 259 Ca 0.00 -1.83 0.03 0.00 -1.21 0.00 0.00 61.69 58.68 1itq s THR 259 Cb 0.00 -2.53 0.09 0.00 -1.51 0.00 0.00 72.50 68.55 1itq s THR 259 CO 0.00 0.00 1.76 0.78 -2.21 0.00 0.00 174.62 174.95 1itq h ASN 260 N 2.21 0.47 -2.72 8.08 4.21 -1.93 -2.74 115.58 123.18 1itq h ASN 260 Ca -0.28 -0.14 -0.66 0.00 1.21 0.00 0.00 56.30 56.43 1itq h ASN 260 Cb 1.24 -0.13 -0.07 0.00 -1.12 0.00 0.00 38.32 38.24 1itq h ASN 260 CO 0.40 0.68 -0.46 -0.75 -1.29 0.00 0.00 177.43 176.01 1itq s LYS 261 N -4.61 3.54 0.23 0.81 2.20 -1.26 -4.76 119.74 115.88 1itq s LYS 261 Ca -0.07 -0.09 -0.19 0.00 -0.36 0.00 0.00 55.97 55.26 1itq s LYS 261 Cb 0.14 -3.21 0.03 0.00 -1.51 0.00 0.00 37.83 33.28 1itq s LYS 261 CO 0.78 0.74 0.61 0.00 -0.36 0.00 0.00 175.35 177.12 1itq s ALA 262 N -0.93 -1.09 0.34 3.13 0.00 -1.26 -4.72 121.76 117.23 1itq s ALA 262 Ca 0.15 -0.20 0.07 0.00 0.00 0.00 0.00 51.96 51.98 1itq s ALA 262 Cb -0.12 0.88 -0.03 0.00 0.00 0.00 0.00 23.12 23.85 1itq s ALA 262 CO 0.04 -0.90 0.27 0.27 0.00 0.00 0.00 175.76 175.45 1itq n ASN 263 N -0.40 -0.52 0.23 0.00 0.23 -1.26 -1.11 115.26 112.43 1itq n ASN 263 Ca -0.08 -3.18 0.07 0.00 -0.53 0.00 0.00 54.58 50.85 1itq n ASN 263 Cb 0.61 1.61 0.53 0.00 -2.08 0.00 0.00 39.78 40.45 1itq n ASN 263 CO 0.00 0.00 0.00 0.25 -0.93 0.00 0.00 177.26 176.58 1itq h LEU 264 N 0.00 0.00 -0.19 -4.53 6.46 -1.26 -3.07 115.31 112.72 1itq h LEU 264 Ca -0.24 0.00 -0.12 0.00 -0.12 0.00 0.00 57.88 57.40 1itq h LEU 264 Cb 1.20 0.00 0.00 0.00 -0.73 0.00 0.00 40.66 41.13 1itq h LEU 264 CO 0.36 0.21 -0.34 -1.28 -0.62 0.00 0.00 178.44 176.76 1itq h SER 265 N 0.00 0.62 -0.31 1.25 0.87 -1.97 -2.83 113.55 111.18 1itq h SER 265 Ca -0.00 -0.54 -0.01 0.00 -1.23 0.00 0.00 61.79 60.01 1itq h SER 265 Cb 0.40 -0.18 -0.02 0.00 -0.44 0.00 0.00 62.40 62.16 1itq h SER 265 CO 0.03 1.05 0.17 1.56 -0.53 0.00 0.00 176.83 179.10 1itq h GLN 266 N 0.22 0.47 -0.50 2.24 4.20 -1.94 -1.25 115.11 118.55 1itq h GLN 266 Ca 0.01 -0.05 -0.13 0.00 0.06 0.00 0.00 58.65 58.55 1itq h GLN 266 Cb 0.93 -0.10 -0.01 0.00 0.30 0.00 0.00 27.48 28.60 1itq h GLN 266 CO 0.08 0.36 -0.19 0.28 -0.67 0.00 0.00 178.83 178.69 1itq h VAL 267 N 0.48 1.27 0.00 -0.54 2.07 -1.53 -2.25 116.25 115.74 1itq h VAL 267 Ca 0.12 -1.36 -0.04 0.00 0.82 0.00 0.00 66.70 66.25 1itq h VAL 267 Cb 0.05 1.09 -0.01 0.00 -1.52 0.00 0.00 31.29 30.90 1itq h VAL 267 CO -0.02 0.47 -0.17 0.00 0.02 0.00 0.00 177.57 177.87 1itq h ALA 268 N 0.88 1.47 -0.58 1.67 0.00 -1.01 -1.93 119.26 119.76 1itq h ALA 268 Ca 0.12 -0.16 -0.10 0.00 0.00 0.00 0.00 54.91 54.77 1itq h ALA 268 Cb 0.77 -0.03 -0.02 0.00 0.00 0.00 0.00 17.79 18.51 1itq h ALA 268 CO 0.06 0.22 -0.03 -0.44 0.00 0.00 0.00 179.25 179.06 1itq h ASP 269 N 0.00 1.03 -0.44 0.00 3.45 -0.72 -0.99 116.42 118.75 1itq h ASP 269 Ca -0.00 -0.32 -0.03 0.00 0.43 0.00 0.00 57.03 57.11 1itq h ASP 269 Cb 0.36 -0.28 -0.02 0.00 -0.56 0.00 0.00 39.33 38.83 1itq h ASP 269 CO 0.02 1.10 0.17 0.45 -1.57 0.00 0.00 179.24 179.41 1itq h HIS 270 N 0.94 0.68 -0.65 4.55 3.86 -1.10 -1.59 115.15 121.83 1itq h HIS 270 Ca 0.16 -0.06 -0.02 0.00 -1.16 0.00 0.00 60.37 59.30 1itq h HIS 270 Cb 0.59 -0.20 -0.03 0.00 1.06 0.00 0.00 27.41 28.83 1itq h HIS 270 CO 0.04 0.59 0.32 -0.07 0.86 0.00 0.00 177.93 179.67 1itq h LEU 271 N 0.57 0.82 -0.38 2.43 3.38 -1.20 -1.97 115.31 118.96 1itq h LEU 271 Ca 0.15 -0.08 -0.08 0.00 0.09 0.00 0.00 57.88 57.96 1itq h LEU 271 Cb 0.21 -0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.74 1itq h LEU 271 CO -0.01 0.69 -0.06 0.44 0.09 0.00 0.00 178.44 179.59 1itq h ASP 272 N 0.92 0.71 0.17 -0.43 3.45 -0.89 -2.15 116.42 118.20 1itq h ASP 272 Ca 0.23 -0.35 -0.01 0.00 0.43 0.00 0.00 57.03 57.33 1itq h ASP 272 Cb 0.08 -0.19 0.00 0.00 -0.56 0.00 0.00 39.33 38.66 1itq h ASP 272 CO -0.03 0.89 -0.08 -0.74 -1.57 0.00 0.00 179.24 177.71 1itq h HIS 273 N 0.52 -0.21 -0.85 4.55 2.76 -0.92 -2.06 115.15 118.93 1itq h HIS 273 Ca 0.10 -0.01 0.10 0.00 -2.20 0.00 0.00 60.37 58.36 1itq h HIS 273 Cb 0.56 0.07 -0.07 0.00 1.55 0.00 0.00 27.41 29.52 1itq h HIS 273 CO 0.05 -0.07 0.50 0.82 -1.30 0.00 0.00 177.93 177.92 1itq h ILE 274 N -0.31 0.92 -0.08 6.26 2.04 -1.40 -0.56 117.51 124.38 1itq h ILE 274 Ca -0.02 -0.28 -0.02 0.00 1.00 0.00 0.00 64.86 65.53 1itq h ILE 274 Cb 0.24 0.02 -0.01 0.00 -0.74 0.00 0.00 36.82 36.33 1itq h ILE 274 CO 0.04 0.15 -0.05 0.50 0.00 0.00 0.00 178.15 178.79 1itq h LYS 275 N 0.83 0.12 0.15 2.37 3.64 -1.08 0.25 116.57 122.85 1itq h LYS 275 Ca 0.41 -0.02 -0.36 0.00 -1.27 0.00 0.00 60.65 59.41 1itq h LYS 275 Cb 0.37 -0.02 -0.01 0.00 -0.41 0.00 0.00 32.23 32.16 1itq h LYS 275 CO -0.24 0.19 -1.91 1.05 -2.27 0.00 0.00 179.45 176.26 1itq h GLU 276 N 0.12 0.31 0.00 1.90 4.11 -0.49 -2.73 114.58 117.80 1itq h GLU 276 Ca 0.03 -0.52 -0.00 0.00 0.07 0.00 0.00 59.36 58.93 1itq h GLU 276 Cb 0.18 0.20 0.00 0.00 0.50 0.00 0.00 28.75 29.62 1itq h GLU 276 CO 0.01 1.25 -0.00 0.28 0.07 0.00 0.00 179.01 180.62 1itq h VAL 277 N 0.07 1.66 0.00 -1.06 2.07 -1.07 -3.37 116.25 114.55 1itq h VAL 277 Ca -0.40 -1.95 0.00 0.00 0.82 0.00 0.00 66.70 65.18 1itq h VAL 277 Cb 2.05 2.99 0.00 0.00 -1.52 0.00 0.00 31.29 34.80 1itq h VAL 277 CO 0.12 0.51 -0.91 0.00 0.02 0.00 0.00 177.57 177.30 1itq n ALA 278 N -2.52 4.21 0.00 1.67 0.00 0.85 -4.61 120.51 120.11 1itq n ALA 278 Ca -0.09 -0.51 0.00 0.00 0.00 0.00 0.00 53.44 52.84 1itq n ALA 278 Cb 0.40 -0.89 0.00 0.00 0.00 0.00 0.00 19.45 18.97 1itq n ALA 278 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itq n GLY 279 N 1.48 1.53 0.18 0.00 0.00 -0.99 -4.24 105.19 103.15 1itq n GLY 279 Ca 0.04 -1.87 -0.03 0.00 0.00 0.00 0.00 46.02 44.16 1itq n GLY 279 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itq h ALA 280 N 0.00 0.99 0.00 4.61 0.00 -1.84 -3.03 119.26 119.99 1itq h ALA 280 Ca 0.00 -0.48 0.00 0.00 0.00 0.00 0.00 54.91 54.43 1itq h ALA 280 Cb 0.00 -0.09 0.00 0.00 0.00 0.00 0.00 17.79 17.70 1itq h ALA 280 CO 0.00 0.67 0.00 2.89 0.00 0.00 0.00 179.25 182.81 1itq n ARG 281 N -3.94 0.81 -0.27 0.00 1.85 -1.26 -2.82 116.66 111.03 1itq n ARG 281 Ca -0.02 0.00 0.07 0.00 -1.00 0.00 0.00 57.85 56.90 1itq n ARG 281 Cb 0.55 -1.24 0.19 0.00 -1.05 0.00 0.00 32.46 30.91 1itq n ARG 281 CO 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 177.63 177.62 1itq n ALA 282 N -0.74 2.49 -2.45 2.89 0.00 -1.14 -4.82 120.51 116.74 1itq n ALA 282 Ca 0.09 -1.62 -0.32 0.00 0.00 0.00 0.00 53.44 51.60 1itq n ALA 282 Cb 0.04 -0.53 -0.14 0.00 0.00 0.00 0.00 19.45 18.82 1itq n ALA 282 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 177.50 178.04 1itq s VAL 283 N -1.74 2.62 0.24 0.00 0.11 -1.13 -1.34 120.40 119.16 1itq s VAL 283 Ca 0.30 -0.89 -0.07 0.00 -2.93 0.00 0.00 61.98 58.39 1itq s VAL 283 Cb 0.20 -1.99 0.03 0.00 -1.53 0.00 0.00 36.38 33.10 1itq s VAL 283 CO 0.12 0.58 0.45 0.61 -3.33 0.00 0.00 175.10 173.54 1itq n GLY 284 N 2.43 1.61 3.43 6.54 0.00 -0.50 -3.99 105.19 114.70 1itq n GLY 284 Ca -0.17 -1.25 -0.33 0.00 0.00 0.00 0.00 46.02 44.28 1itq n GLY 284 CO 0.00 0.00 0.00 -1.36 0.00 0.00 0.00 173.32 171.96 1itq s PHE 285 N -4.50 2.79 -0.42 1.61 0.40 -1.25 -1.19 117.98 115.44 1itq s PHE 285 Ca 0.12 -0.42 0.08 0.00 -0.60 0.00 0.00 56.93 56.11 1itq s PHE 285 Cb -0.03 -1.77 0.29 0.00 0.51 0.00 0.00 43.02 42.03 1itq s PHE 285 CO 0.09 -0.03 0.78 0.41 0.70 0.00 0.00 175.22 177.16 1itq n GLY 286 N 3.04 2.07 0.50 4.36 0.00 -0.26 -0.23 105.19 114.67 1itq n GLY 286 Ca -0.18 -0.95 0.34 0.00 0.00 0.00 0.00 46.02 45.24 1itq n GLY 286 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 1itq h GLY 287 N 3.50 0.76 -1.03 -0.02 0.00 -1.71 -3.24 103.07 101.33 1itq h GLY 287 Ca 0.00 -0.10 -0.17 0.00 0.00 0.00 0.00 47.33 47.07 1itq h GLY 287 CO 0.38 -0.16 -0.20 1.34 0.00 0.00 0.00 176.54 177.89 1itq n ASP 288 N -4.44 -3.21 -4.77 0.19 2.03 -0.68 -1.78 116.55 103.89 1itq n ASP 288 Ca 0.31 0.04 -0.41 0.00 0.52 0.00 0.00 54.79 55.25 1itq n ASP 288 Cb 1.29 -2.28 -0.02 0.00 -0.72 0.00 0.00 41.12 39.39 1itq n ASP 288 CO 0.00 0.00 0.00 -0.36 -1.92 0.00 0.00 177.20 174.92 1itq s PHE 289 N -2.40 2.93 0.00 -0.67 0.08 -1.24 -2.25 117.98 114.42 1itq s PHE 289 Ca 0.00 1.32 0.00 0.00 0.12 0.00 0.00 56.93 58.37 1itq s PHE 289 Cb 0.00 -3.78 0.00 0.00 -0.57 0.00 0.00 43.02 38.67 1itq s PHE 289 CO 0.00 -2.22 0.00 -0.25 -0.10 0.00 0.00 175.22 172.65 1itq n ASP 290 N 0.84 -2.35 -0.02 1.36 8.00 -1.26 -1.28 116.55 121.84 1itq n ASP 290 Ca 0.01 0.00 -0.00 0.00 0.71 0.00 0.00 54.79 55.51 1itq n ASP 290 Cb 0.41 -1.29 -0.06 0.00 -0.02 0.00 0.00 41.12 40.16 1itq n ASP 290 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 1itq n GLY 291 N -1.75 -0.34 3.52 0.44 0.00 -0.96 -4.52 105.19 101.59 1itq n GLY 291 Ca 0.00 -0.14 -0.30 0.00 0.00 0.00 0.00 46.02 45.57 1itq n GLY 291 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1itq s VAL 292 N -2.33 3.06 0.12 1.61 -7.23 -1.13 -5.06 120.40 109.44 1itq s VAL 292 Ca -0.03 -1.28 -0.06 0.00 -1.81 0.00 0.00 61.98 58.80 1itq s VAL 292 Cb 0.03 -2.38 -0.18 0.00 0.56 0.00 0.00 36.38 34.41 1itq s VAL 292 CO 0.30 0.19 1.30 1.55 -0.31 0.00 0.00 175.10 178.13 1itq h PRO 293 N 3.97 0.46 -5.10 4.82 0.13 -1.95 -3.45 132.00 130.89 1itq h PRO 293 Ca -0.49 -0.49 -0.66 0.00 -0.87 0.00 0.00 66.00 63.50 1itq h PRO 293 Cb 1.16 0.13 -0.27 0.00 0.13 0.00 0.00 31.00 32.15 1itq h PRO 293 CO 0.49 1.13 -0.74 1.03 -0.23 0.00 0.00 178.00 179.69 1itq s ARG 294 N -3.32 3.38 0.10 0.86 0.52 -1.26 -5.11 118.95 114.12 1itq s ARG 294 Ca -0.06 -0.64 0.10 0.00 -0.52 0.00 0.00 55.73 54.60 1itq s ARG 294 Cb 0.09 -2.88 -0.04 0.00 0.52 0.00 0.00 34.95 32.64 1itq s ARG 294 CO 0.87 -0.06 -0.24 0.14 0.02 0.00 0.00 175.30 176.04 1itq s VAL 295 N 1.09 2.44 0.70 3.52 -7.23 -1.26 -2.87 120.40 116.80 1itq s VAL 295 Ca 0.01 -1.58 -0.16 0.00 -1.81 0.00 0.00 61.98 58.44 1itq s VAL 295 Cb -0.15 -2.07 -0.03 0.00 0.56 0.00 0.00 36.38 34.70 1itq s VAL 295 CO -0.01 0.16 0.71 -2.65 -0.31 0.00 0.00 175.10 173.00 1itq n PRO 296 N 1.09 0.43 -2.18 4.82 -0.02 -1.25 -4.79 135.00 133.10 1itq n PRO 296 Ca -0.17 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.08 1itq n PRO 296 Cb 0.53 -1.98 -0.03 0.00 -0.02 0.00 0.00 33.50 32.00 1itq n PRO 296 CO 0.00 0.00 0.00 -2.00 1.98 0.00 0.00 175.50 175.48 1itq s GLU 297 N -2.90 4.28 0.00 -0.52 2.12 -0.27 -1.12 118.70 120.30 1itq s GLU 297 Ca 0.69 2.03 0.00 0.00 0.36 0.00 0.00 54.97 58.05 1itq s GLU 297 Cb -0.36 -3.50 0.00 0.00 0.26 0.00 0.00 34.13 30.53 1itq s GLU 297 CO 0.54 -0.56 0.00 0.41 -0.54 0.00 0.00 175.26 175.11 1itq n GLY 298 N 3.64 3.30 2.64 -1.50 0.00 -1.26 -0.75 105.19 111.27 1itq n GLY 298 Ca 0.13 0.00 -0.25 0.00 0.00 0.00 0.00 46.02 45.90 1itq n GLY 298 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1itq n LEU 299 N 0.00 4.16 -0.18 0.99 4.77 -0.28 -4.78 117.00 121.68 1itq n LEU 299 Ca 0.00 -5.25 -0.07 0.00 -0.03 0.00 0.00 56.01 50.65 1itq n LEU 299 Cb 0.00 -0.36 0.07 0.00 -2.33 0.00 0.00 43.42 40.80 1itq n LEU 299 CO 0.00 2.23 0.85 -0.33 -1.33 0.00 0.00 177.39 178.81 1itq h GLU 300 N 2.78 0.99 0.00 3.23 3.07 -1.84 -3.33 114.58 119.48 1itq h GLU 300 Ca 0.20 -0.30 -0.15 0.00 -0.50 0.00 0.00 59.36 58.61 1itq h GLU 300 Cb 0.79 -0.10 -0.03 0.00 -0.84 0.00 0.00 28.75 28.57 1itq h GLU 300 CO 0.79 0.97 -0.03 -0.40 -1.40 0.00 0.00 179.01 178.94 1itq n ASP 301 N -4.19 -1.05 0.00 1.42 5.68 -1.26 -4.89 116.55 112.26 1itq n ASP 301 Ca 0.03 -2.21 0.02 0.00 -0.50 0.00 0.00 54.79 52.13 1itq n ASP 301 Cb 0.33 1.89 0.10 0.00 -1.14 0.00 0.00 41.12 42.30 1itq n ASP 301 CO 0.00 0.00 0.00 1.33 -1.33 0.00 0.00 177.20 177.20 1itq n VAL 302 N -0.38 0.41 0.77 2.12 0.24 -1.01 -1.53 118.33 118.95 1itq n VAL 302 Ca -0.01 0.10 0.11 0.00 -2.04 0.00 0.00 64.34 62.50 1itq n VAL 302 Cb 0.39 -1.04 0.04 0.00 -1.47 0.00 0.00 33.84 31.75 1itq n VAL 302 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1itq n SER 303 N -1.11 0.67 0.00 -1.34 3.41 -1.22 -3.90 113.62 110.12 1itq n SER 303 Ca 0.02 -0.42 0.13 0.00 -0.26 0.00 0.00 58.87 58.35 1itq n SER 303 Cb 0.02 0.75 0.70 0.00 -0.26 0.00 0.00 64.21 65.42 1itq n SER 303 CO 0.00 0.00 0.00 0.29 -0.16 0.00 0.00 175.04 175.17 1itq n LYS 304 N -1.74 0.44 -0.21 4.33 4.76 -0.58 -3.89 118.16 121.28 1itq n LYS 304 Ca 0.03 0.03 0.02 0.00 -2.87 0.00 0.00 58.31 55.52 1itq n LYS 304 Cb 0.39 -1.50 0.13 0.00 -1.84 0.00 0.00 35.03 32.20 1itq n LYS 304 CO 0.00 0.00 0.00 1.88 -1.37 0.00 0.00 177.40 177.91 1itq h TYR 305 N 0.00 0.20 -0.49 2.13 0.05 -1.77 -2.01 116.97 115.08 1itq h TYR 305 Ca 0.00 0.04 0.10 0.00 0.05 0.00 0.00 58.73 58.92 1itq h TYR 305 Cb 0.23 0.01 -0.03 0.00 1.01 0.00 0.00 36.73 37.95 1itq h TYR 305 CO 0.00 -0.05 0.34 -1.35 -1.05 0.00 0.00 178.16 176.04 1itq h PRO 306 N 0.25 0.21 -0.35 4.88 0.11 -1.76 -0.40 132.00 134.95 1itq h PRO 306 Ca 0.34 -0.01 -0.10 0.00 0.11 0.00 0.00 66.00 66.34 1itq h PRO 306 Cb 0.53 -0.05 -0.02 0.00 0.11 0.00 0.00 31.00 31.57 1itq h PRO 306 CO -0.44 0.14 -0.19 -0.44 -0.21 0.00 0.00 178.00 176.86 1itq h ASP 307 N 0.22 0.65 -0.00 -2.05 3.45 -1.68 -1.44 116.42 115.56 1itq h ASP 307 Ca 0.23 -0.21 -0.12 0.00 0.43 0.00 0.00 57.03 57.36 1itq h ASP 307 Cb 0.61 -0.18 -0.01 0.00 -0.56 0.00 0.00 39.33 39.19 1itq h ASP 307 CO -0.04 0.84 -0.35 0.25 -1.57 0.00 0.00 179.24 178.37 1itq h LEU 308 N 0.58 0.50 -0.45 1.55 5.85 -1.04 -2.71 115.31 119.58 1itq h LEU 308 Ca 0.09 -0.20 -0.17 0.00 0.84 0.00 0.00 57.88 58.44 1itq h LEU 308 Cb 0.64 -0.14 -0.00 0.00 0.37 0.00 0.00 40.66 41.53 1itq h LEU 308 CO 0.05 0.81 -0.58 0.40 -0.34 0.00 0.00 178.44 178.78 1itq h ILE 309 N 0.41 1.32 -0.64 4.05 1.08 -1.18 -2.69 117.51 119.85 1itq h ILE 309 Ca 0.05 -1.83 0.01 0.00 -0.39 0.00 0.00 64.86 62.70 1itq h ILE 309 Cb 0.81 1.79 -0.03 0.00 -3.07 0.00 0.00 36.82 36.31 1itq h ILE 309 CO 0.07 0.57 0.42 0.00 -0.69 0.00 0.00 178.15 178.52 1itq h ALA 310 N 0.90 0.82 -0.75 1.87 0.00 -1.14 -0.69 119.26 120.27 1itq h ALA 310 Ca 0.00 -0.04 0.01 0.00 0.00 0.00 0.00 54.91 54.88 1itq h ALA 310 Cb 1.14 -0.26 -0.04 0.00 0.00 0.00 0.00 17.79 18.63 1itq h ALA 310 CO 0.11 0.24 0.49 1.49 0.00 0.00 0.00 179.25 181.58 1itq h GLU 311 N 0.86 0.97 -0.60 0.00 4.57 -1.39 0.37 114.58 119.36 1itq h GLU 311 Ca 0.24 -0.06 -0.03 0.00 -1.18 0.00 0.00 59.36 58.33 1itq h GLU 311 Cb -0.09 -0.22 -0.03 0.00 -0.16 0.00 0.00 28.75 28.25 1itq h GLU 311 CO -0.06 0.64 0.26 -0.07 -1.18 0.00 0.00 179.01 178.61 1itq h LEU 312 N 1.00 0.81 -0.53 1.64 3.38 -1.09 -0.42 115.31 120.11 1itq h LEU 312 Ca 0.28 -0.15 -0.03 0.00 0.09 0.00 0.00 57.88 58.07 1itq h LEU 312 Cb -0.09 -0.21 -0.02 0.00 0.09 0.00 0.00 40.66 40.43 1itq h LEU 312 CO -0.07 0.74 0.21 -0.07 0.09 0.00 0.00 178.44 179.33 1itq h LEU 313 N 0.83 0.73 -1.20 1.67 3.38 -0.32 -1.06 115.31 119.35 1itq h LEU 313 Ca 0.20 -0.17 0.07 0.00 0.09 0.00 0.00 57.88 58.07 1itq h LEU 313 Cb 0.17 -0.19 -0.06 0.00 0.09 0.00 0.00 40.66 40.67 1itq h LEU 313 CO -0.02 0.71 0.56 -0.09 0.09 0.00 0.00 178.44 179.69 1itq h ARG 314 N 0.71 0.92 -0.15 1.13 2.43 0.20 0.11 114.38 119.74 1itq h ARG 314 Ca 0.18 -0.06 0.00 0.00 -0.81 0.00 0.00 59.98 59.29 1itq h ARG 314 Cb 0.21 -0.21 0.00 0.00 -0.42 0.00 0.00 29.97 29.55 1itq h ARG 314 CO -0.01 0.61 0.00 0.54 -1.51 0.00 0.00 179.97 179.60 1itq n ARG 315 N -4.49 1.02 -2.03 0.20 1.74 -0.21 -4.87 116.66 108.02 1itq n ARG 315 Ca 0.13 -0.03 -0.06 0.00 -0.77 0.00 0.00 57.85 57.12 1itq n ARG 315 Cb 0.22 -1.08 -0.00 0.00 -1.02 0.00 0.00 32.46 30.58 1itq n ARG 315 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1itq n ASN 316 N -0.41 -2.53 -4.74 0.55 5.15 0.38 -5.02 115.26 108.65 1itq n ASN 316 Ca 0.00 0.01 -0.41 0.00 -0.60 0.00 0.00 54.58 53.58 1itq n ASN 316 Cb 0.04 -1.77 -0.04 0.00 -0.53 0.00 0.00 39.78 37.48 1itq n ASN 316 CO 0.00 0.00 0.00 0.26 1.40 0.00 0.00 177.26 178.92 1itq s TRP 317 N -2.29 3.66 0.75 1.20 0.52 -0.46 -5.01 118.94 117.31 1itq s TRP 317 Ca 0.00 1.67 -0.11 0.00 0.02 0.00 0.00 56.10 57.69 1itq s TRP 317 Cb 0.00 -3.21 0.04 0.00 -1.15 0.00 0.00 33.47 29.14 1itq s TRP 317 CO 0.00 -0.37 1.08 0.95 0.02 0.00 0.00 176.95 178.62 1itq s THR 318 N -0.44 3.59 0.29 2.01 -4.23 -1.26 -4.60 115.64 111.00 1itq s THR 318 Ca 0.47 0.52 -0.01 0.00 -1.18 0.00 0.00 61.69 61.49 1itq s THR 318 Cb -0.29 -3.16 0.27 0.00 1.34 0.00 0.00 72.50 70.67 1itq s THR 318 CO 0.35 -0.67 1.92 -0.08 -0.54 0.00 0.00 174.62 175.59 1itq h GLU 319 N -0.95 1.08 -0.74 3.99 4.81 -1.99 -1.50 114.58 119.28 1itq h GLU 319 Ca -0.44 -0.07 -0.05 0.00 -0.13 0.00 0.00 59.36 58.67 1itq h GLU 319 Cb 1.23 -0.24 -0.03 0.00 0.63 0.00 0.00 28.75 30.33 1itq h GLU 319 CO 0.55 0.72 0.25 0.00 -0.73 0.00 0.00 179.01 179.80 1itq h ALA 320 N 1.48 0.96 -0.42 2.92 0.00 -1.98 -0.49 119.26 121.72 1itq h ALA 320 Ca 0.38 -0.21 -0.09 0.00 0.00 0.00 0.00 54.91 54.99 1itq h ALA 320 Cb 0.08 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 17.57 1itq h ALA 320 CO -0.13 0.63 -0.10 0.93 0.00 0.00 0.00 179.25 180.58 1itq h GLU 321 N 1.08 0.74 0.12 0.00 5.08 -1.66 -1.05 114.58 118.89 1itq h GLU 321 Ca 0.24 -0.23 -0.30 0.00 -1.00 0.00 0.00 59.36 58.07 1itq h GLU 321 Cb 0.28 -0.07 0.03 0.00 0.50 0.00 0.00 28.75 29.49 1itq h GLU 321 CO -0.01 0.82 -1.24 -0.39 -1.00 0.00 0.00 179.01 177.18 1itq h VAL 322 N 0.68 1.30 -0.15 3.13 -1.51 -1.15 -2.62 116.25 115.92 1itq h VAL 322 Ca 0.12 -2.49 -0.03 0.00 -1.23 0.00 0.00 66.70 63.07 1itq h VAL 322 Cb 0.56 2.70 -0.01 0.00 -2.13 0.00 0.00 31.29 32.40 1itq h VAL 322 CO 0.03 0.76 -0.04 0.11 -1.23 0.00 0.00 177.57 177.20 1itq h LYS 323 N 0.27 0.21 -0.32 5.19 1.57 -0.99 0.21 116.57 122.71 1itq h LYS 323 Ca -0.18 -0.03 -0.18 0.00 -1.87 0.00 0.00 60.65 58.38 1itq h LYS 323 Cb 1.91 -0.04 -0.00 0.00 0.08 0.00 0.00 32.23 34.18 1itq h LYS 323 CO 0.24 0.28 -0.50 0.78 -0.57 0.00 0.00 179.45 179.67 1itq h GLY 324 N 0.54 0.97 2.00 3.86 0.00 -1.20 -1.31 103.07 107.94 1itq h GLY 324 Ca 0.05 -1.10 -0.07 0.00 0.00 0.00 0.00 47.33 46.21 1itq h GLY 324 CO 0.01 0.98 -0.35 0.00 0.00 0.00 0.00 176.54 177.18 1itq h ALA 325 N 0.72 0.94 0.00 3.60 0.00 -0.93 -0.39 119.26 123.19 1itq h ALA 325 Ca 0.03 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.61 1itq h ALA 325 Cb 1.10 -0.06 0.00 0.00 0.00 0.00 0.00 17.79 18.84 1itq h ALA 325 CO 0.11 0.44 -0.02 -0.07 0.00 0.00 0.00 179.25 179.72 1itq h LEU 326 N 0.00 0.02 0.00 0.00 3.38 -0.35 -3.31 115.31 115.04 1itq h LEU 326 Ca -0.00 -0.80 0.00 0.00 0.09 0.00 0.00 57.88 57.16 1itq h LEU 326 Cb 0.95 -0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.70 1itq h LEU 326 CO 0.05 0.82 0.00 0.00 0.09 0.00 0.00 178.44 179.39 1itq n ALA 327 N -2.51 1.22 -0.33 1.53 0.00 -0.53 0.17 120.51 120.05 1itq n ALA 327 Ca -0.09 0.00 0.12 0.00 0.00 0.00 0.00 53.44 53.47 1itq n ALA 327 Cb 0.40 0.00 0.30 0.00 0.00 0.00 0.00 19.45 20.15 1itq n ALA 327 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 177.50 177.06 1itq h ASP 328 N 0.00 0.68 -0.55 0.00 3.45 -1.49 -1.75 116.42 116.76 1itq h ASP 328 Ca 0.00 0.10 -0.11 0.00 0.43 0.00 0.00 57.03 57.45 1itq h ASP 328 Cb 0.00 -0.01 -0.02 0.00 -0.56 0.00 0.00 39.33 38.74 1itq h ASP 328 CO 0.00 0.22 -0.10 0.78 -1.57 0.00 0.00 179.24 178.57 1itq h ASN 329 N 0.68 1.04 -0.38 6.45 2.35 -1.32 -1.34 115.58 123.07 1itq h ASN 329 Ca 0.56 -0.35 -0.04 0.00 -0.55 0.00 0.00 56.30 55.92 1itq h ASN 329 Cb 0.89 -0.28 -0.02 0.00 0.05 0.00 0.00 38.32 38.96 1itq h ASN 329 CO -0.40 1.15 0.07 0.25 -1.65 0.00 0.00 177.43 176.85 1itq h LEU 330 N 0.92 0.59 -1.45 1.61 7.12 -1.64 -2.15 115.31 120.30 1itq h LEU 330 Ca 0.14 -0.25 -0.05 0.00 0.13 0.00 0.00 57.88 57.86 1itq h LEU 330 Cb 0.68 -0.16 -0.01 0.00 -0.53 0.00 0.00 40.66 40.64 1itq h LEU 330 CO 0.05 0.68 -0.12 -0.07 -0.13 0.00 0.00 178.44 178.85 1itq h LEU 331 N 0.46 0.20 0.23 2.25 3.38 -1.22 0.10 115.31 120.71 1itq h LEU 331 Ca 0.12 -0.04 -0.01 0.00 0.09 0.00 0.00 57.88 58.04 1itq h LEU 331 Cb 0.34 -0.05 0.00 0.00 0.09 0.00 0.00 40.66 41.04 1itq h LEU 331 CO 0.00 0.35 -0.11 -0.09 0.09 0.00 0.00 178.44 178.68 1itq h ARG 332 N 0.20 -0.30 -0.72 1.13 2.43 -0.99 -1.94 114.38 114.18 1itq h ARG 332 Ca 0.04 0.02 -0.03 0.00 -0.81 0.00 0.00 59.98 59.20 1itq h ARG 332 Cb 0.35 0.07 -0.03 0.00 -0.42 0.00 0.00 29.97 29.93 1itq h ARG 332 CO 0.02 0.04 0.34 0.28 -1.51 0.00 0.00 179.97 179.14 1itq h VAL 333 N -0.69 1.23 -0.07 0.20 2.07 -1.20 -1.68 116.25 116.11 1itq h VAL 333 Ca -0.03 -0.66 -0.00 0.00 0.82 0.00 0.00 66.70 66.82 1itq h VAL 333 Cb 0.48 0.31 -0.00 0.00 -1.52 0.00 0.00 31.29 30.56 1itq h VAL 333 CO 0.05 0.28 0.02 0.15 0.02 0.00 0.00 177.57 178.09 1itq h PHE 334 N 1.03 0.11 -0.85 1.57 3.04 -0.81 -1.38 116.94 119.64 1itq h PHE 334 Ca 0.25 -0.01 0.03 0.00 3.98 0.00 0.00 57.97 62.22 1itq h PHE 334 Cb 0.11 -0.03 -0.05 0.00 2.56 0.00 0.00 35.95 38.54 1itq h PHE 334 CO 0.01 0.25 0.55 0.93 -2.02 0.00 0.00 178.31 178.03 1itq h GLU 335 N -0.07 1.03 -0.36 1.11 5.08 -1.15 -1.81 114.58 118.41 1itq h GLU 335 Ca 0.02 -0.06 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1itq h GLU 335 Cb 0.19 -0.23 -0.02 0.00 0.50 0.00 0.00 28.75 29.20 1itq h GLU 335 CO -0.00 0.68 0.24 0.00 -1.00 0.00 0.00 179.01 178.93 1itq h ALA 336 N 1.35 0.46 -0.38 3.43 0.00 -1.06 0.26 119.26 123.32 1itq h ALA 336 Ca 0.34 -0.02 -0.01 0.00 0.00 0.00 0.00 54.91 55.21 1itq h ALA 336 Cb 0.01 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 17.64 1itq h ALA 336 CO -0.12 -0.09 0.18 0.28 0.00 0.00 0.00 179.25 179.51 1itq h VAL 337 N 0.48 1.13 -0.07 0.00 2.07 -0.72 -0.82 116.25 118.33 1itq h VAL 337 Ca 0.13 -0.38 -0.24 0.00 0.82 0.00 0.00 66.70 67.03 1itq h VAL 337 Cb -0.05 0.65 0.01 0.00 -1.52 0.00 0.00 31.29 30.38 1itq h VAL 337 CO -0.03 0.15 -0.90 -0.33 0.02 0.00 0.00 177.57 176.48 1itq h GLU 338 N 0.53 0.69 0.00 1.57 5.08 -0.74 -2.79 114.58 118.91 1itq h GLU 338 Ca 0.13 -0.65 -0.06 0.00 -1.00 0.00 0.00 59.36 57.78 1itq h GLU 338 Cb 0.06 0.16 -0.01 0.00 0.50 0.00 0.00 28.75 29.46 1itq h GLU 338 CO -0.02 1.25 -0.30 1.96 -1.00 0.00 0.00 179.01 180.89 1itq h GLN 339 N 0.43 0.00 -0.00 2.33 1.08 -0.53 -2.61 115.11 115.80 1itq h GLN 339 Ca -0.09 0.00 0.00 0.00 -1.45 0.00 0.00 58.65 57.11 1itq h GLN 339 Cb 1.54 0.00 0.00 0.00 -0.05 0.00 0.00 27.48 28.97 1itq h GLN 339 CO 0.18 0.30 -0.21 0.00 -0.95 0.00 0.00 178.83 178.15 1itq n ALA 340 N -2.29 2.91 -1.81 3.87 0.00 -0.35 -4.88 120.51 117.95 1itq n ALA 340 Ca -0.01 -0.25 -0.34 0.00 0.00 0.00 0.00 53.44 52.85 1itq n ALA 340 Cb 0.44 -1.29 -0.05 0.00 0.00 0.00 0.00 19.45 18.54 1itq n ALA 340 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.50 175.96 1itq s SER 341 N -2.81 6.70 -0.38 0.00 1.04 -0.99 -4.61 113.70 112.65 1itq s SER 341 Ca 0.18 1.81 0.03 0.00 0.48 0.00 0.00 55.95 58.46 1itq s SER 341 Cb 0.19 -2.55 0.16 0.00 0.10 0.00 0.00 66.02 63.91 1itq s SER 341 CO 0.57 -0.53 0.36 0.21 0.98 0.00 0.00 173.24 174.83 1itq s ASN 342 N -2.04 1.37 0.53 7.02 3.04 0.58 -5.00 114.94 120.44 1itq s ASN 342 Ca 0.64 -1.91 0.32 0.00 0.04 0.00 0.00 52.86 51.94 1itq s ASN 342 Cb -0.13 0.34 1.17 0.00 -1.54 0.00 0.00 41.25 41.08 1itq s ASN 342 CO 0.17 -0.24 1.91 -0.07 -3.04 0.00 0.00 177.10 175.83 1itq h LEU 343 N 6.73 0.00 -0.05 3.21 3.38 -1.92 -2.59 115.31 124.07 1itq h LEU 343 Ca 0.08 0.00 0.00 0.00 0.09 0.00 0.00 57.88 58.05 1itq h LEU 343 Cb 1.02 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.77 1itq h LEU 343 CO 0.22 0.00 0.00 0.35 0.09 0.00 0.00 178.44 179.10 1itq n THR 344 N -3.09 0.44 -2.43 0.22 -2.24 -1.26 -4.77 114.28 101.15 1itq n THR 344 Ca 0.01 -0.15 -0.40 0.00 -2.27 0.00 0.00 64.05 61.24 1itq n THR 344 Cb 0.35 -0.61 -0.04 0.00 -2.10 0.00 0.00 70.33 67.93 1itq n THR 344 CO 0.00 0.00 0.00 -1.58 -0.57 0.00 0.00 175.07 172.92 1itq s GLN 345 N -3.08 4.60 -0.01 -0.78 0.74 -0.98 -4.94 119.66 115.21 1itq s GLN 345 Ca 0.11 1.85 -0.32 0.00 0.05 0.00 0.00 55.36 57.05 1itq s GLN 345 Cb 0.14 -3.18 -0.10 0.00 1.10 0.00 0.00 33.01 30.96 1itq s GLN 345 CO 0.55 0.15 1.93 0.00 -0.55 0.00 0.00 175.29 177.37 1itq n ALA 346 N 1.26 1.30 -0.95 1.58 0.00 -1.26 -4.94 120.51 117.51 1itq n ALA 346 Ca -0.01 0.25 -0.33 0.00 0.00 0.00 0.00 53.44 53.35 1itq n ALA 346 Cb 0.44 -2.60 0.12 0.00 0.00 0.00 0.00 19.45 17.42 1itq n ALA 346 CO 0.00 0.00 0.00 -2.30 0.00 0.00 0.00 177.50 175.20 1itq n PRO 347 N 7.07 -0.07 -2.59 0.00 -0.02 -1.26 -4.91 135.00 133.22 1itq n PRO 347 Ca 0.21 0.04 -0.42 0.00 -2.02 0.00 0.00 63.50 61.31 1itq n PRO 347 Cb 0.36 -2.12 -0.03 0.00 -0.02 0.00 0.00 33.50 31.68 1itq n PRO 347 CO 0.00 0.00 0.00 -1.21 1.98 0.00 0.00 175.50 176.27 1itq s GLU 348 N -3.80 4.49 0.00 -0.52 0.41 -1.26 -4.90 118.70 113.12 1itq s GLU 348 Ca 0.65 1.56 0.00 0.00 -0.41 0.00 0.00 54.97 56.78 1itq s GLU 348 Cb -0.26 -3.43 0.00 0.00 -1.78 0.00 0.00 34.13 28.66 1itq s GLU 348 CO 0.59 -0.17 0.34 -0.85 -0.49 0.00 0.00 175.26 174.68 1itq n GLU 349 N 4.06 -0.47 -2.60 1.61 0.28 -1.26 -4.87 120.64 117.39 1itq n GLU 349 Ca 0.08 -0.36 -0.43 0.00 -0.16 0.00 0.00 57.16 56.29 1itq n GLU 349 Cb 0.49 -0.81 -0.02 0.00 1.43 0.00 0.00 31.44 32.53 1itq n GLU 349 CO 0.00 0.00 0.00 -2.00 -0.16 0.00 0.00 177.13 174.97 1itq s GLU 350 N -0.04 3.73 0.85 3.44 2.12 -1.26 -5.00 118.70 122.54 1itq s GLU 350 Ca 0.00 0.57 -0.10 0.00 0.36 0.00 0.00 54.97 55.80 1itq s GLU 350 Cb 0.00 -3.91 0.10 0.00 0.26 0.00 0.00 34.13 30.59 1itq s GLU 350 CO 0.00 -1.38 1.12 -1.25 -0.54 0.00 0.00 175.26 173.21 1itq s PRO 351 N 4.46 1.61 0.46 4.30 0.04 -1.26 -4.98 135.00 139.62 1itq s PRO 351 Ca 0.48 1.36 -0.23 0.00 0.04 0.00 0.00 61.00 62.65 1itq s PRO 351 Cb -0.07 -1.81 -0.07 0.00 0.04 0.00 0.00 34.50 32.58 1itq s PRO 351 CO 0.32 -2.16 1.17 -1.50 0.04 0.00 0.00 177.00 174.88 1itq s ILE 352 N -2.78 3.07 0.34 0.56 2.07 -1.26 -4.94 121.20 118.26 1itq s ILE 352 Ca 0.64 0.81 -0.29 0.00 -1.41 0.00 0.00 60.65 60.41 1itq s ILE 352 Cb -0.20 -3.42 -0.11 0.00 0.13 0.00 0.00 42.46 38.86 1itq s ILE 352 CO 0.57 0.00 1.52 -2.84 -1.91 0.00 0.00 174.94 172.28 1itq s PRO 353 N -2.65 4.13 0.32 3.50 0.02 -1.26 -4.89 135.00 134.17 1itq s PRO 353 Ca 0.63 2.55 0.09 0.00 0.02 0.00 0.00 61.00 64.29 1itq s PRO 353 Cb -0.29 -3.00 0.84 0.00 0.02 0.00 0.00 34.50 32.07 1itq s PRO 353 CO 0.36 -0.55 1.77 1.25 -0.33 0.00 0.00 177.00 179.49 1itq h LEU 354 N 3.80 0.70 -0.06 -5.54 5.85 -1.96 0.61 115.31 118.71 1itq h LEU 354 Ca -0.49 0.10 0.00 0.00 0.84 0.00 0.00 57.88 58.33 1itq h LEU 354 Cb 1.23 -0.02 0.00 0.00 0.37 0.00 0.00 40.66 42.24 1itq h LEU 354 CO 0.71 0.20 0.00 -0.90 -0.34 0.00 0.00 178.44 178.11 1itq n ASP 355 N -4.77 0.04 -0.00 1.25 5.75 -1.26 -2.07 116.55 115.49 1itq n ASP 355 Ca 0.24 0.51 0.10 0.00 -0.01 0.00 0.00 54.79 55.64 1itq n ASP 355 Cb 0.66 -0.52 -0.13 0.00 -1.03 0.00 0.00 41.12 40.10 1itq n ASP 355 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 1itq n GLN 356 N -1.55 0.41 -2.53 0.11 6.02 0.20 -4.94 117.38 115.09 1itq n GLN 356 Ca 0.02 -0.06 -0.34 0.00 -0.01 0.00 0.00 57.00 56.62 1itq n GLN 356 Cb 0.12 -1.47 -0.04 0.00 1.02 0.00 0.00 30.24 29.87 1itq n GLN 356 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 177.06 175.54 1itq s LEU 357 N -3.43 3.82 0.29 1.08 1.43 -0.88 -4.77 118.68 116.23 1itq s LEU 357 Ca 0.03 1.88 0.03 0.00 -1.03 0.00 0.00 54.13 55.03 1itq s LEU 357 Cb 0.15 -4.55 -0.04 0.00 0.03 0.00 0.00 46.19 41.77 1itq s LEU 357 CO 0.84 -0.75 0.14 -0.83 0.23 0.00 0.00 176.35 175.98 1itq s GLY 358 N -2.10 1.97 0.00 -3.19 0.00 -1.26 -5.04 107.32 97.70 1itq s GLY 358 Ca 0.66 -1.77 0.00 0.00 0.00 0.00 0.00 44.72 43.61 1itq s GLY 358 CO 0.21 -1.58 0.00 0.61 0.00 0.00 0.00 173.10 172.33 1itq n GLY 359 N -0.55 -0.42 1.35 0.20 0.00 -1.26 -4.70 105.19 99.82 1itq n GLY 359 Ca 0.01 -1.72 0.01 0.00 0.00 0.00 0.00 46.02 44.32 1itq n GLY 359 CO 0.00 0.00 0.00 1.44 0.00 0.00 0.00 173.32 174.76 1itq n SER 360 N -1.31 3.96 -2.01 1.61 7.64 -1.26 -4.63 113.62 117.63 1itq n SER 360 Ca 0.00 -3.25 -0.24 0.00 1.01 0.00 0.00 58.87 56.39 1itq n SER 360 Cb 0.00 -0.64 0.02 0.00 -1.01 0.00 0.00 64.21 62.58 1itq n SER 360 CO 0.00 0.00 0.00 0.00 -3.01 0.00 0.00 175.04 172.03 1itq s ARG 362 N -3.60 1.32 0.36 0.00 1.70 -1.26 -4.90 118.95 112.57 1itq s ARG 362 Ca 0.51 -1.16 0.08 0.00 -0.47 0.00 0.00 55.73 54.69 1itq s ARG 362 Cb 0.41 0.43 -0.05 0.00 -0.57 0.00 0.00 34.95 35.17 1itq s ARG 362 CO 0.04 -0.52 0.13 0.95 -1.08 0.00 0.00 175.30 174.82 1itq s THR 363 N -3.97 2.74 -0.31 4.99 -4.23 -1.26 -5.08 115.64 108.51 1itq s THR 363 Ca 0.18 -1.74 0.07 0.00 -1.18 0.00 0.00 61.69 59.02 1itq s THR 363 Cb 0.01 -2.94 0.46 0.00 1.34 0.00 0.00 72.50 71.37 1itq s THR 363 CO 0.03 -0.13 1.35 1.41 -0.54 0.00 0.00 174.62 176.73 1itq n HIS 364 N -1.14 1.84 -2.19 3.99 -0.00 -1.26 -5.05 115.22 111.42 1itq n HIS 364 Ca -0.03 -2.02 -0.40 0.00 -0.00 0.00 0.00 57.72 55.27 1itq n HIS 364 Cb 0.62 -0.48 -0.02 0.00 -0.00 0.00 0.00 29.99 30.11 1itq n HIS 364 CO 0.00 0.00 0.00 0.71 -0.00 0.00 0.00 176.34 177.05 1itq s TYR 365 N -3.47 3.15 0.00 4.41 2.02 -1.26 -2.93 117.35 119.27 1itq s TYR 365 Ca 0.48 1.48 0.00 0.00 -0.37 0.00 0.00 57.07 58.66 1itq s TYR 365 Cb 0.41 -3.59 0.00 0.00 -0.40 0.00 0.00 41.96 38.38 1itq s TYR 365 CO 0.00 -1.58 0.00 0.41 -1.57 0.00 0.00 175.55 172.81 1itq n GLY 366 N 0.86 3.04 3.73 0.71 0.00 -1.26 -5.03 105.19 107.24 1itq n GLY 366 Ca 0.00 -0.55 -0.41 0.00 0.00 0.00 0.00 46.02 45.07 1itq n GLY 366 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1itq s TYR 367 N -1.73 3.73 0.00 1.61 2.02 -1.15 -4.83 117.35 117.00 1itq s TYR 367 Ca 0.00 1.63 0.00 0.00 -0.37 0.00 0.00 57.07 58.33 1itq s TYR 367 Cb 0.00 -2.98 0.00 0.00 -0.40 0.00 0.00 41.96 38.58 1itq s TYR 367 CO 0.00 0.16 0.00 -1.13 -1.57 0.00 0.00 175.55 173.01 1itq n SER 368 N 3.15 0.00 -0.02 2.29 3.41 -1.26 -5.06 113.62 116.13 1itq n SER 368 Ca 0.01 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.63 1itq n SER 368 Cb 0.50 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 64.45 1itq n SER 368 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34