#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 8icr n THR 10 N 0.00 0.00 0.08 2.62 5.66 -1.26 -4.77 114.28 116.62 8icr n THR 10 Ca 0.00 0.00 -0.09 0.00 -3.05 0.00 0.00 64.05 60.91 8icr n THR 10 Cb 0.00 0.00 -0.05 0.00 -1.55 0.00 0.00 70.33 68.73 8icr n THR 10 CO 0.00 0.00 0.00 0.17 -3.05 0.00 0.00 175.07 172.19 8icr h LEU 11 N 0.00 0.23 -3.07 1.09 -0.00 -1.96 -3.26 115.31 108.34 8icr h LEU 11 Ca 0.00 -0.21 0.00 0.00 -0.00 0.00 0.00 57.88 57.67 8icr h LEU 11 Cb 0.00 -0.07 0.00 0.00 -0.00 0.00 0.00 40.66 40.59 8icr h LEU 11 CO 0.00 1.06 0.00 0.59 -0.00 0.00 0.00 178.44 180.09 8icr n ASN 12 N -3.58 3.33 0.00 0.17 4.13 -1.26 -4.68 115.26 113.37 8icr n ASN 12 Ca -0.04 -2.52 0.00 0.00 1.68 0.00 0.00 54.58 53.70 8icr n ASN 12 Cb 0.87 -0.38 0.00 0.00 -1.54 0.00 0.00 39.78 38.73 8icr n ASN 12 CO 0.00 0.00 0.00 0.61 0.28 0.00 0.00 177.26 178.15 8icr n GLY 13 N -0.07 -0.04 0.32 7.41 0.00 -1.23 -0.50 105.19 111.08 8icr n GLY 13 Ca 0.16 0.01 0.19 0.00 0.00 0.00 0.00 46.02 46.37 8icr n GLY 13 CO 0.00 0.00 0.00 -1.33 0.00 0.00 0.00 173.32 171.99 8icr h GLY 14 N 0.00 1.64 0.44 -0.02 0.00 -1.90 0.32 103.07 103.55 8icr h GLY 14 Ca 0.00 -0.06 0.04 0.00 0.00 0.00 0.00 47.33 47.31 8icr h GLY 14 CO 0.00 -0.49 -0.17 -2.22 0.00 0.00 0.00 176.54 173.66 8icr h ILE 15 N 0.17 0.56 -0.13 2.60 2.04 -1.57 1.05 117.51 122.24 8icr h ILE 15 Ca 0.65 0.00 -0.16 0.00 1.00 0.00 0.00 64.86 66.35 8icr h ILE 15 Cb 1.43 0.56 -0.01 0.00 -0.74 0.00 0.00 36.82 38.07 8icr h ILE 15 CO -0.71 0.00 -0.60 0.71 0.00 0.00 0.00 178.15 177.55 8icr h THR 16 N -0.21 1.35 0.00 -0.27 1.35 0.14 -2.43 112.91 112.84 8icr h THR 16 Ca 0.09 -1.91 -0.11 0.00 -0.55 0.00 0.00 66.41 63.94 8icr h THR 16 Cb 0.35 1.91 -0.02 0.00 -1.73 0.00 0.00 68.15 68.66 8icr h THR 16 CO -0.25 0.58 -0.51 0.44 -0.25 0.00 0.00 175.52 175.53 8icr h ASP 17 N 0.31 0.00 -0.16 5.36 3.32 0.44 0.85 116.42 126.54 8icr h ASP 17 Ca -0.00 0.00 -0.06 0.00 0.02 0.00 0.00 57.03 56.99 8icr h ASP 17 Cb 1.13 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 40.68 8icr h ASP 17 CO 0.10 0.51 -0.11 -0.03 -1.72 0.00 0.00 179.24 177.99 8icr h MET 18 N 0.00 0.37 -0.80 3.56 1.85 0.12 -1.36 114.93 118.67 8icr h MET 18 Ca -0.01 -0.18 0.15 0.00 -0.61 0.00 0.00 59.70 59.06 8icr h MET 18 Cb 0.91 -0.00 -0.10 0.00 0.43 0.00 0.00 31.60 32.83 8icr h MET 18 CO 0.07 0.71 0.34 -0.07 -0.40 0.00 0.00 176.91 177.56 8icr h LEU 19 N 0.03 0.35 -0.37 3.39 4.07 -1.14 -0.23 115.31 121.40 8icr h LEU 19 Ca 0.03 0.11 -0.18 0.00 0.08 0.00 0.00 57.88 57.92 8icr h LEU 19 Cb 0.62 0.07 -0.00 0.00 1.08 0.00 0.00 40.66 42.43 8icr h LEU 19 CO 0.03 0.12 -0.63 0.71 -1.08 0.00 0.00 178.44 177.59 8icr h THR 20 N 0.48 1.31 0.20 0.22 1.35 -0.72 0.20 112.91 115.95 8icr h THR 20 Ca 0.44 -1.89 0.01 0.00 -0.55 0.00 0.00 66.41 64.43 8icr h THR 20 Cb 0.69 1.85 -0.04 0.00 -1.73 0.00 0.00 68.15 68.92 8icr h THR 20 CO -0.41 0.59 -0.39 -0.33 -0.25 0.00 0.00 175.52 174.73 8icr h GLU 21 N 0.47 -0.65 -0.28 4.72 5.08 0.03 0.16 114.58 124.12 8icr h GLU 21 Ca -0.01 0.04 0.05 0.00 -1.00 0.00 0.00 59.36 58.45 8icr h GLU 21 Cb 1.22 0.15 -0.05 0.00 0.50 0.00 0.00 28.75 30.56 8icr h GLU 21 CO 0.12 -0.43 -0.05 -0.07 -1.00 0.00 0.00 179.01 177.58 8icr h LEU 22 N -0.68 -0.22 0.19 1.33 -0.00 -1.05 -0.48 115.31 114.42 8icr h LEU 22 Ca 0.01 0.08 -0.00 0.00 -0.00 0.00 0.00 57.88 57.96 8icr h LEU 22 Cb 0.67 0.16 -0.02 0.00 -0.00 0.00 0.00 40.66 41.46 8icr h LEU 22 CO -0.18 -0.07 -0.32 0.00 -0.00 0.00 0.00 178.44 177.87 8icr h ALA 23 N 1.27 -0.92 -1.06 1.53 0.00 -0.21 -1.34 119.26 118.53 8icr h ALA 23 Ca 0.13 -0.09 0.28 0.00 0.00 0.00 0.00 54.91 55.23 8icr h ALA 23 Cb 0.20 0.64 -0.09 0.00 0.00 0.00 0.00 17.79 18.55 8icr h ALA 23 CO -0.27 -0.97 0.69 -0.91 0.00 0.00 0.00 179.25 177.80 8icr h ASN 24 N -0.55 0.37 0.12 0.00 2.35 -0.85 0.21 115.58 117.24 8icr h ASN 24 Ca -0.02 0.07 -0.18 0.00 -0.55 0.00 0.00 56.30 55.62 8icr h ASN 24 Cb 0.51 0.01 -0.00 0.00 0.05 0.00 0.00 38.32 38.89 8icr h ASN 24 CO -0.11 0.07 -0.66 0.15 -1.65 0.00 0.00 177.43 175.22 8icr h PHE 25 N 0.32 0.66 -0.72 1.19 3.04 -0.04 -2.63 116.94 118.76 8icr h PHE 25 Ca 0.59 -0.27 -0.05 0.00 3.98 0.00 0.00 57.97 62.22 8icr h PHE 25 Cb 1.63 -0.11 -0.03 0.00 2.56 0.00 0.00 35.95 40.00 8icr h PHE 25 CO -0.00 1.02 0.24 0.93 -2.02 0.00 0.00 178.31 178.48 8icr h GLU 26 N 0.36 1.10 -0.34 1.11 4.39 0.42 -2.51 114.58 119.13 8icr h GLU 26 Ca -0.02 -0.23 -0.02 0.00 0.34 0.00 0.00 59.36 59.44 8icr h GLU 26 Cb 1.23 -0.16 -0.02 0.00 -0.10 0.00 0.00 28.75 29.70 8icr h GLU 26 CO 0.12 0.93 0.15 1.57 -1.16 0.00 0.00 179.01 180.62 8icr h LYS 27 N 1.05 0.49 0.00 2.33 5.09 -1.21 -3.08 116.57 121.24 8icr h LYS 27 Ca 0.23 -0.08 0.00 0.00 0.09 0.00 0.00 60.65 60.89 8icr h LYS 27 Cb 0.28 -0.08 0.00 0.00 0.10 0.00 0.00 32.23 32.52 8icr h LYS 27 CO -0.01 0.47 -0.08 -0.91 -2.09 0.00 0.00 179.45 176.83 8icr h ASN 28 N 0.40 0.00 -0.31 7.07 -0.26 -1.36 -3.41 115.58 117.71 8icr h ASN 28 Ca 0.11 0.00 0.03 0.00 -0.56 0.00 0.00 56.30 55.88 8icr h ASN 28 Cb 0.16 0.00 -0.03 0.00 -1.06 0.00 0.00 38.32 37.39 8icr h ASN 28 CO -0.01 0.22 0.13 0.58 -1.06 0.00 0.00 177.43 177.29 8icr h VAL 29 N -0.36 0.95 -2.60 2.81 2.07 -1.66 -3.42 116.25 114.04 8icr h VAL 29 Ca 0.00 -0.10 -0.55 0.00 0.82 0.00 0.00 66.70 66.87 8icr h VAL 29 Cb 0.08 0.65 -0.03 0.00 -1.52 0.00 0.00 31.29 30.47 8icr h VAL 29 CO 0.00 0.05 -0.48 -0.94 0.02 0.00 0.00 177.57 176.22 8icr s SER 30 N -5.37 6.19 -1.01 0.57 1.04 -1.16 -5.00 113.70 108.96 8icr s SER 30 Ca -0.13 0.12 -0.01 0.00 0.48 0.00 0.00 55.95 56.41 8icr s SER 30 Cb 0.11 -1.83 0.32 0.00 0.10 0.00 0.00 66.02 64.72 8icr s SER 30 CO 0.70 0.06 1.74 1.67 0.98 0.00 0.00 173.24 178.39 8icr n GLN 31 N -0.48 5.21 -3.38 4.02 7.27 -1.26 -4.16 117.38 124.60 8icr n GLN 31 Ca -0.07 -4.67 -0.35 0.00 0.07 0.00 0.00 57.00 51.99 8icr n GLN 31 Cb 0.54 -2.46 -0.05 0.00 2.41 0.00 0.00 30.24 30.68 8icr n GLN 31 CO 0.00 0.00 0.00 0.00 0.07 0.00 0.00 177.06 177.13 8icr n ALA 32 N 0.12 4.30 -0.35 1.69 0.00 -1.18 -4.91 120.51 120.17 8icr n ALA 32 Ca 0.43 -4.72 0.25 0.00 0.00 0.00 0.00 53.44 49.40 8icr n ALA 32 Cb 0.28 -1.59 0.52 0.00 0.00 0.00 0.00 19.45 18.66 8icr n ALA 32 CO 0.00 0.00 0.00 0.97 0.00 0.00 0.00 177.50 178.47 8icr h ILE 33 N 3.55 0.40 0.55 0.00 6.09 -1.87 -2.19 117.51 124.05 8icr h ILE 33 Ca 0.19 -0.12 -0.03 0.00 -1.37 0.00 0.00 64.86 63.53 8icr h ILE 33 Cb 0.70 0.03 0.01 0.00 0.47 0.00 0.00 36.82 38.02 8icr h ILE 33 CO 0.99 0.06 -0.26 0.45 -3.07 0.00 0.00 178.15 176.32 8icr h HIS 34 N 0.34 -0.69 -0.57 2.19 3.86 -1.97 -0.66 115.15 117.65 8icr h HIS 34 Ca 0.67 -0.02 0.08 0.00 -1.16 0.00 0.00 60.37 59.95 8icr h HIS 34 Cb 1.72 0.23 -0.07 0.00 1.06 0.00 0.00 27.41 30.35 8icr h HIS 34 CO -0.00 -0.43 0.21 0.87 0.86 0.00 0.00 177.93 179.44 8icr h LYS 35 N -0.75 0.38 -0.84 2.45 1.57 -1.94 0.82 116.57 118.26 8icr h LYS 35 Ca -0.08 -0.02 0.12 0.00 -1.87 0.00 0.00 60.65 58.81 8icr h LYS 35 Cb 0.57 -0.09 -0.06 0.00 0.08 0.00 0.00 32.23 32.73 8icr h LYS 35 CO 0.12 0.25 0.55 -0.92 -0.57 0.00 0.00 179.45 178.89 8icr h TYR 36 N 0.40 0.78 0.04 -1.35 3.20 -1.43 0.32 116.97 118.91 8icr h TYR 36 Ca 0.28 0.02 -0.23 0.00 3.14 0.00 0.00 58.73 61.94 8icr h TYR 36 Cb 0.33 -0.25 -0.00 0.00 1.54 0.00 0.00 36.73 38.35 8icr h TYR 36 CO -0.16 0.32 -1.01 -0.97 -1.64 0.00 0.00 178.16 174.70 8icr h ASN 37 N 0.69 0.42 0.74 -2.11 -0.00 0.14 -3.01 115.58 112.44 8icr h ASN 37 Ca 0.41 -0.37 -0.04 0.00 -0.00 0.00 0.00 56.30 56.30 8icr h ASN 37 Cb 0.62 -0.13 0.01 0.00 -0.00 0.00 0.00 38.32 38.82 8icr h ASN 37 CO -0.17 1.20 -0.36 0.00 -0.00 0.00 0.00 177.43 178.10 8icr h ALA 38 N 0.76 -1.27 -1.17 1.57 0.00 0.35 -2.58 119.26 116.93 8icr h ALA 38 Ca -0.08 -0.22 0.35 0.00 0.00 0.00 0.00 54.91 54.96 8icr h ALA 38 Cb 1.67 0.39 -0.11 0.00 0.00 0.00 0.00 17.79 19.74 8icr h ALA 38 CO 0.17 -1.20 0.75 1.88 0.00 0.00 0.00 179.25 180.85 8icr h TYR 39 N -1.00 0.59 0.03 0.00 0.05 -0.65 -1.76 116.97 114.23 8icr h TYR 39 Ca -0.10 0.02 -0.25 0.00 0.05 0.00 0.00 58.73 58.45 8icr h TYR 39 Cb 0.77 -0.16 0.02 0.00 1.01 0.00 0.00 36.73 38.37 8icr h TYR 39 CO 0.06 -0.07 -0.98 0.07 -1.05 0.00 0.00 178.16 176.18 8icr h ARG 40 N 0.24 0.62 -0.29 4.88 0.11 -1.38 -2.25 114.38 116.30 8icr h ARG 40 Ca 0.70 -0.70 -0.15 0.00 0.10 0.00 0.00 59.98 59.93 8icr h ARG 40 Cb 2.02 0.21 -0.01 0.00 1.11 0.00 0.00 29.97 33.30 8icr h ARG 40 CO -0.36 1.29 -0.44 1.57 0.10 0.00 0.00 179.97 182.13 8icr h LYS 41 N 0.25 0.74 -0.58 0.08 -0.00 -0.93 0.84 116.57 116.97 8icr h LYS 41 Ca -0.13 -0.41 -0.03 0.00 -0.00 0.00 0.00 60.65 60.08 8icr h LYS 41 Cb 1.66 0.02 -0.03 0.00 -0.00 0.00 0.00 32.23 33.88 8icr h LYS 41 CO 0.19 1.03 0.22 0.00 -0.00 0.00 0.00 179.45 180.90 8icr h ALA 42 N 0.90 1.31 -0.51 0.07 0.00 -1.57 0.96 119.26 120.42 8icr h ALA 42 Ca 0.04 -0.16 -0.11 0.00 0.00 0.00 0.00 54.91 54.69 8icr h ALA 42 Cb 1.00 -0.23 -0.02 0.00 0.00 0.00 0.00 17.79 18.54 8icr h ALA 42 CO 0.09 0.51 -0.10 0.00 0.00 0.00 0.00 179.25 179.76 8icr h ALA 43 N 1.42 0.70 -0.62 0.00 0.00 -1.16 0.28 119.26 119.88 8icr h ALA 43 Ca 0.20 -0.34 -0.02 0.00 0.00 0.00 0.00 54.91 54.75 8icr h ALA 43 Cb 0.17 -0.18 -0.03 0.00 0.00 0.00 0.00 17.79 17.75 8icr h ALA 43 CO -0.02 0.60 0.31 1.03 0.00 0.00 0.00 179.25 181.18 8icr h SER 44 N 0.84 0.80 0.19 0.00 0.87 0.89 -2.38 113.55 114.77 8icr h SER 44 Ca 0.13 -0.12 -0.01 0.00 -1.23 0.00 0.00 61.79 60.56 8icr h SER 44 Cb 0.66 -0.21 0.00 0.00 -0.44 0.00 0.00 62.40 62.41 8icr h SER 44 CO 0.05 0.70 -0.09 -0.37 -0.53 0.00 0.00 176.83 176.58 8icr h VAL 45 N 0.85 0.60 -0.41 2.23 -1.51 0.12 -3.17 116.25 114.97 8icr h VAL 45 Ca 0.21 -1.05 0.12 0.00 -1.23 0.00 0.00 66.70 64.75 8icr h VAL 45 Cb 0.10 1.03 -0.02 0.00 -2.13 0.00 0.00 31.29 30.28 8icr h VAL 45 CO -0.03 0.16 0.45 0.16 -1.23 0.00 0.00 177.57 177.08 8icr h ILE 46 N -0.95 0.37 -0.25 7.19 3.07 -0.52 0.95 117.51 127.37 8icr h ILE 46 Ca -0.03 0.00 -0.08 0.00 1.55 0.00 0.00 64.86 66.30 8icr h ILE 46 Cb 0.47 0.64 -0.01 0.00 -0.27 0.00 0.00 36.82 37.65 8icr h ILE 46 CO 0.04 0.00 -0.20 0.00 -1.05 0.00 0.00 178.15 176.94 8icr h ALA 47 N 1.50 1.20 0.00 0.16 0.00 -1.42 -3.22 119.26 117.47 8icr h ALA 47 Ca 0.20 -0.31 -0.17 0.00 0.00 0.00 0.00 54.91 54.63 8icr h ALA 47 Cb 1.09 -0.12 0.01 0.00 0.00 0.00 0.00 17.79 18.77 8icr h ALA 47 CO -0.00 0.52 -0.68 0.87 0.00 0.00 0.00 179.25 179.96 8icr h LYS 48 N 0.41 0.45 -5.27 0.00 1.57 -0.78 -3.37 116.57 109.58 8icr h LYS 48 Ca 0.07 -0.49 -0.69 0.00 -1.87 0.00 0.00 60.65 57.67 8icr h LYS 48 Cb 0.58 0.14 0.05 0.00 0.08 0.00 0.00 32.23 33.08 8icr h LYS 48 CO 0.04 1.14 0.03 0.98 -0.57 0.00 0.00 179.45 181.07 8icr n TYR 49 N -4.16 0.51 0.77 -1.35 9.36 -1.13 -4.88 117.16 116.28 8icr n TYR 49 Ca -0.11 0.93 0.10 0.00 3.32 0.00 0.00 57.90 62.15 8icr n TYR 49 Cb 0.71 -1.83 0.47 0.00 -0.63 0.00 0.00 39.34 38.06 8icr n TYR 49 CO 0.00 0.00 0.00 -2.30 0.22 0.00 0.00 176.86 174.78 8icr n PRO 50 N 1.30 0.03 -4.33 2.98 -0.02 -1.26 -4.90 135.00 128.79 8icr n PRO 50 Ca 0.17 0.13 -0.18 0.00 -2.02 0.00 0.00 63.50 61.60 8icr n PRO 50 Cb 0.08 -1.50 -0.10 0.00 -0.02 0.00 0.00 33.50 31.96 8icr n PRO 50 CO 0.00 0.00 0.00 -1.01 1.98 0.00 0.00 175.50 176.47 8icr s HIS 51 N -2.96 1.58 -0.40 6.00 3.76 -1.26 -5.10 115.29 116.92 8icr s HIS 51 Ca 0.11 -1.23 -0.29 0.00 -0.15 0.00 0.00 55.06 53.51 8icr s HIS 51 Cb 0.14 -0.91 0.00 0.00 1.11 0.00 0.00 32.58 32.92 8icr s HIS 51 CO 0.39 -0.37 1.52 0.15 -0.85 0.00 0.00 174.74 175.58 8icr s LYS 52 N -3.96 3.49 0.08 1.40 1.02 -1.26 -4.88 119.74 115.63 8icr s LYS 52 Ca 0.37 1.05 -0.31 0.00 0.02 0.00 0.00 55.97 57.10 8icr s LYS 52 Cb 0.07 -4.08 -0.10 0.00 -0.52 0.00 0.00 37.83 33.20 8icr s LYS 52 CO 0.15 -1.67 1.92 -0.89 -0.92 0.00 0.00 175.35 173.94 8icr n ILE 53 N 7.17 0.59 0.37 2.17 5.41 -1.26 -4.85 119.36 128.96 8icr n ILE 53 Ca 0.18 -0.11 0.08 0.00 1.00 0.00 0.00 62.75 63.90 8icr n ILE 53 Cb 0.48 -2.24 0.11 0.00 -0.71 0.00 0.00 39.64 37.27 8icr n ILE 53 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 176.55 177.72 8icr n LYS 54 N 6.70 1.64 -3.66 0.38 3.00 -1.26 -5.04 118.16 119.91 8icr n LYS 54 Ca 0.19 -1.67 0.03 0.00 -0.00 0.00 0.00 58.31 56.87 8icr n LYS 54 Cb 0.39 -1.32 0.00 0.00 0.00 0.00 0.00 35.03 34.11 8icr n LYS 54 CO 0.00 0.00 0.00 -1.54 0.00 0.00 0.00 177.40 175.86 8icr s SER 55 N -1.19 -0.01 0.01 3.14 1.04 -1.26 -5.02 113.70 110.41 8icr s SER 55 Ca 0.22 -0.05 -0.03 0.00 0.48 0.00 0.00 55.95 56.58 8icr s SER 55 Cb 0.14 0.05 -0.01 0.00 0.10 0.00 0.00 66.02 66.30 8icr s SER 55 CO 0.20 -0.10 1.04 1.23 0.98 0.00 0.00 173.24 176.59 8icr h GLY 56 N 2.00 -0.79 -0.95 7.32 0.00 -1.90 -2.55 103.07 106.20 8icr h GLY 56 Ca -0.30 0.34 0.24 0.00 0.00 0.00 0.00 47.33 47.61 8icr h GLY 56 CO 0.30 -0.29 -0.07 0.00 0.00 0.00 0.00 176.54 176.47 8icr n ALA 57 N -2.32 0.40 -0.07 3.60 0.00 -1.26 0.45 120.51 121.32 8icr n ALA 57 Ca -0.01 1.03 -0.08 0.00 0.00 0.00 0.00 53.44 54.38 8icr n ALA 57 Cb 0.03 -0.71 -0.01 0.00 0.00 0.00 0.00 19.45 18.77 8icr n ALA 57 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 8icr h GLU 58 N 0.00 0.16 -0.27 0.00 4.81 -1.93 -1.57 114.58 115.78 8icr h GLU 58 Ca 0.54 -0.01 -0.01 0.00 -0.13 0.00 0.00 59.36 59.75 8icr h GLU 58 Cb 1.02 -0.04 -0.01 0.00 0.63 0.00 0.00 28.75 30.35 8icr h GLU 58 CO -0.92 0.10 0.12 0.00 -0.73 0.00 0.00 179.01 177.58 8icr h ALA 59 N 1.19 0.34 -1.22 2.92 0.00 -0.37 -2.98 119.26 119.14 8icr h ALA 59 Ca 0.12 -0.10 0.38 0.00 0.00 0.00 0.00 54.91 55.31 8icr h ALA 59 Cb 0.12 -0.10 -0.12 0.00 0.00 0.00 0.00 17.79 17.69 8icr h ALA 59 CO -0.15 -0.08 0.78 -0.22 0.00 0.00 0.00 179.25 179.58 8icr h LYS 60 N 0.29 0.18 0.00 0.00 3.64 0.94 1.01 116.57 122.63 8icr h LYS 60 Ca 0.09 -0.01 0.00 0.00 -1.27 0.00 0.00 60.65 59.46 8icr h LYS 60 Cb 0.14 -0.04 0.00 0.00 -0.41 0.00 0.00 32.23 31.92 8icr h LYS 60 CO -0.01 0.12 0.00 1.63 -2.27 0.00 0.00 179.45 178.92 8icr n LYS 61 N -4.67 0.07 -2.04 1.90 5.02 -0.78 -4.63 118.16 113.03 8icr n LYS 61 Ca 0.33 0.54 -0.31 0.00 -2.02 0.00 0.00 58.31 56.85 8icr n LYS 61 Cb 1.24 -1.72 -0.00 0.00 -0.02 0.00 0.00 35.03 34.53 8icr n LYS 61 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 8icr s LEU 62 N -3.73 3.34 0.04 -0.35 2.01 0.35 -5.01 118.68 115.33 8icr s LEU 62 Ca -0.00 1.43 -0.28 0.00 0.01 0.00 0.00 54.13 55.28 8icr s LEU 62 Cb 0.04 -4.44 -0.05 0.00 0.01 0.00 0.00 46.19 41.75 8icr s LEU 62 CO 0.12 -0.79 0.89 -2.16 1.01 0.00 0.00 176.35 175.42 8icr s PRO 63 N -4.90 4.58 0.00 1.29 0.04 -1.26 -2.33 135.00 132.42 8icr s PRO 63 Ca 0.55 1.29 0.00 0.00 0.04 0.00 0.00 61.00 62.88 8icr s PRO 63 Cb -0.11 -3.41 0.00 0.00 0.04 0.00 0.00 34.50 31.02 8icr s PRO 63 CO 0.48 0.13 0.00 0.41 0.04 0.00 0.00 177.00 178.06 8icr n GLY 64 N 2.59 1.96 3.51 0.56 0.00 -1.26 -4.73 105.19 107.82 8icr n GLY 64 Ca 0.02 0.00 -0.40 0.00 0.00 0.00 0.00 46.02 45.64 8icr n GLY 64 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8icr s VAL 65 N -2.33 5.18 0.00 1.61 -7.23 -0.98 -4.67 120.40 111.98 8icr s VAL 65 Ca 0.00 -0.28 0.00 0.00 -1.81 0.00 0.00 61.98 59.89 8icr s VAL 65 Cb 0.00 -3.68 0.00 0.00 0.56 0.00 0.00 36.38 33.26 8icr s VAL 65 CO 0.00 -0.02 0.00 0.61 -0.31 0.00 0.00 175.10 175.38 8icr n GLY 66 N 5.09 2.61 0.28 2.32 0.00 -1.26 -4.63 105.19 109.60 8icr n GLY 66 Ca -0.13 -2.14 -0.06 0.00 0.00 0.00 0.00 46.02 43.69 8icr n GLY 66 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8icr h THR 67 N 0.23 1.22 -0.23 2.61 1.03 -1.94 -0.87 112.91 114.97 8icr h THR 67 Ca 0.00 -0.61 0.01 0.00 -0.01 0.00 0.00 66.41 65.80 8icr h THR 67 Cb 0.00 0.41 -0.02 0.00 -1.07 0.00 0.00 68.15 67.47 8icr h THR 67 CO 0.00 0.25 0.13 0.11 -0.01 0.00 0.00 175.52 176.00 8icr h LYS 68 N 0.91 0.26 0.01 0.00 1.57 -1.98 0.47 116.57 117.80 8icr h LYS 68 Ca 0.23 -0.02 -0.23 0.00 -1.87 0.00 0.00 60.65 58.77 8icr h LYS 68 Cb 0.11 -0.06 0.02 0.00 0.08 0.00 0.00 32.23 32.38 8icr h LYS 68 CO -0.03 0.17 -0.89 0.82 -0.57 0.00 0.00 179.45 178.95 8icr h ILE 69 N 0.27 1.33 -0.67 1.86 2.04 -1.94 -3.05 117.51 117.35 8icr h ILE 69 Ca 0.09 -2.20 0.08 0.00 1.00 0.00 0.00 64.86 63.83 8icr h ILE 69 Cb 0.01 2.48 -0.04 0.00 -0.74 0.00 0.00 36.82 38.53 8icr h ILE 69 CO -0.05 0.67 0.44 0.00 0.00 0.00 0.00 178.15 179.21 8icr h ALA 70 N 0.36 1.82 -0.63 1.87 0.00 -1.06 0.25 119.26 121.87 8icr h ALA 70 Ca -0.11 -0.02 -0.05 0.00 0.00 0.00 0.00 54.91 54.73 8icr h ALA 70 Cb 1.57 -0.15 -0.03 0.00 0.00 0.00 0.00 17.79 19.19 8icr h ALA 70 CO 0.18 0.05 0.19 1.49 0.00 0.00 0.00 179.25 181.16 8icr h GLU 71 N 0.61 0.98 -0.22 0.00 4.81 -0.80 -2.17 114.58 117.79 8icr h GLU 71 Ca 0.30 -0.21 -0.10 0.00 -0.13 0.00 0.00 59.36 59.22 8icr h GLU 71 Cb 0.37 -0.14 -0.01 0.00 0.63 0.00 0.00 28.75 29.60 8icr h GLU 71 CO -0.10 0.87 -0.28 0.87 -0.73 0.00 0.00 179.01 179.64 8icr h LYS 72 N 0.91 0.43 0.63 1.92 1.57 -0.88 -3.02 116.57 118.13 8icr h LYS 72 Ca 0.20 -0.17 -0.03 0.00 -1.87 0.00 0.00 60.65 58.79 8icr h LYS 72 Cb 0.30 -0.02 -0.00 0.00 0.08 0.00 0.00 32.23 32.58 8icr h LYS 72 CO -0.01 0.67 -0.37 0.82 -0.57 0.00 0.00 179.45 179.99 8icr h ILE 73 N 0.38 0.24 -0.29 1.86 2.04 -0.01 -1.08 117.51 120.64 8icr h ILE 73 Ca 0.05 0.00 0.06 0.00 1.00 0.00 0.00 64.86 65.97 8icr h ILE 73 Cb 0.69 0.24 -0.08 0.00 -0.74 0.00 0.00 36.82 36.93 8icr h ILE 73 CO 0.05 0.00 -0.45 0.44 0.00 0.00 0.00 178.15 178.20 8icr h ASP 74 N -0.95 -1.45 -0.90 1.72 3.32 -1.32 0.41 116.42 117.25 8icr h ASP 74 Ca -0.08 0.20 0.18 0.00 0.02 0.00 0.00 57.03 57.35 8icr h ASP 74 Cb 0.76 0.61 -0.07 0.00 0.22 0.00 0.00 39.33 40.85 8icr h ASP 74 CO 0.09 -0.40 0.58 -0.08 -1.72 0.00 0.00 179.24 177.71 8icr h GLU 75 N -0.41 0.51 -0.09 3.56 4.81 -1.51 3.37 114.58 124.83 8icr h GLU 75 Ca 0.10 -0.03 -0.24 0.00 -0.13 0.00 0.00 59.36 59.07 8icr h GLU 75 Cb 0.61 -0.12 0.01 0.00 0.63 0.00 0.00 28.75 29.88 8icr h GLU 75 CO -0.51 0.34 -0.88 0.35 -0.73 0.00 0.00 179.01 177.59 8icr h PHE 76 N 0.53 1.00 0.03 0.92 3.04 0.31 -1.79 116.94 120.99 8icr h PHE 76 Ca 0.47 -0.48 -0.00 0.00 3.98 0.00 0.00 57.97 61.93 8icr h PHE 76 Cb 0.98 -0.14 0.00 0.00 2.56 0.00 0.00 35.95 39.36 8icr h PHE 76 CO -0.00 1.31 -0.02 -0.07 -2.02 0.00 0.00 178.31 177.51 8icr h LEU 77 N 0.46 -0.04 -0.05 0.59 -0.00 0.37 -3.33 115.31 113.31 8icr h LEU 77 Ca -0.08 -0.52 0.00 0.00 -0.00 0.00 0.00 57.88 57.28 8icr h LEU 77 Cb 1.51 0.01 -0.01 0.00 -0.00 0.00 0.00 40.66 42.17 8icr h LEU 77 CO 0.17 0.52 -0.04 0.00 -0.00 0.00 0.00 178.44 179.10 8icr h ALA 78 N 0.31 -0.18 -3.31 1.53 0.00 0.60 -3.38 119.26 114.83 8icr h ALA 78 Ca -0.00 0.00 -0.64 0.00 0.00 0.00 0.00 54.91 54.27 8icr h ALA 78 Cb 0.56 0.88 -0.18 0.00 0.00 0.00 0.00 17.79 19.05 8icr h ALA 78 CO 0.01 -0.20 -0.63 0.95 0.00 0.00 0.00 179.25 179.38 8icr s THR 79 N -3.17 4.21 -0.53 0.00 -4.23 -0.67 -4.98 115.64 106.27 8icr s THR 79 Ca -0.01 -0.26 -0.09 0.00 -1.18 0.00 0.00 61.69 60.15 8icr s THR 79 Cb 0.01 -2.83 -0.08 0.00 1.34 0.00 0.00 72.50 70.93 8icr s THR 79 CO 0.04 0.52 1.70 0.61 -0.54 0.00 0.00 174.62 176.94 8icr n GLY 80 N 3.15 2.34 0.45 3.99 0.00 -1.25 -4.19 105.19 109.68 8icr n GLY 80 Ca -0.17 -0.67 -0.00 0.00 0.00 0.00 0.00 46.02 45.17 8icr n GLY 80 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 8icr n LYS 81 N 5.26 0.09 -3.69 1.61 4.76 -1.25 -5.08 118.16 119.85 8icr n LYS 81 Ca 0.32 -0.19 -0.10 0.00 -2.87 0.00 0.00 58.31 55.47 8icr n LYS 81 Cb 0.16 0.25 -0.11 0.00 -1.84 0.00 0.00 35.03 33.50 8icr n LYS 81 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 8icr s LEU 82 N 0.00 -0.20 0.07 -0.35 2.96 -1.26 -3.47 118.68 116.44 8icr s LEU 82 Ca 0.03 0.90 -0.29 0.00 -0.22 0.00 0.00 54.13 54.54 8icr s LEU 82 Cb -0.00 1.32 -0.18 0.00 0.50 0.00 0.00 46.19 47.83 8icr s LEU 82 CO 0.01 -0.20 1.64 -0.09 -1.32 0.00 0.00 176.35 176.38 8icr h ARG 83 N 7.36 -0.56 -0.93 1.98 2.43 -1.99 -1.14 114.38 121.52 8icr h ARG 83 Ca -0.32 0.04 0.25 0.00 -0.81 0.00 0.00 59.98 59.14 8icr h ARG 83 Cb 1.17 0.13 -0.14 0.00 -0.42 0.00 0.00 29.97 30.71 8icr h ARG 83 CO 0.26 -0.36 0.42 -0.22 -1.51 0.00 0.00 179.97 178.56 8icr h LYS 84 N -0.61 0.34 -0.13 0.20 3.64 -1.99 1.82 116.57 119.84 8icr h LYS 84 Ca -0.06 -0.02 -0.12 0.00 -1.27 0.00 0.00 60.65 59.18 8icr h LYS 84 Cb 0.46 -0.08 -0.01 0.00 -0.41 0.00 0.00 32.23 32.19 8icr h LYS 84 CO 0.10 0.22 -0.45 -0.07 -2.27 0.00 0.00 179.45 176.98 8icr h LEU 85 N 0.35 0.34 -0.29 5.20 4.07 -1.91 -2.04 115.31 121.03 8icr h LEU 85 Ca 0.62 -0.15 -0.10 0.00 0.08 0.00 0.00 57.88 58.32 8icr h LEU 85 Cb 1.26 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 42.90 8icr h LEU 85 CO -0.58 0.74 -0.21 1.05 -1.08 0.00 0.00 178.44 178.37 8icr h GLU 86 N 0.26 0.65 0.30 1.13 4.11 0.39 -2.72 114.58 118.71 8icr h GLU 86 Ca 0.02 -0.32 0.00 0.00 0.07 0.00 0.00 59.36 59.13 8icr h GLU 86 Cb 0.90 -0.00 -0.03 0.00 0.50 0.00 0.00 28.75 30.12 8icr h GLU 86 CO 0.07 0.91 -0.37 -0.22 0.07 0.00 0.00 179.01 179.48 8icr h LYS 87 N 0.40 -0.70 -0.95 1.06 3.64 -0.70 -2.20 116.57 117.12 8icr h LYS 87 Ca 0.06 0.05 0.12 0.00 -1.27 0.00 0.00 60.65 59.60 8icr h LYS 87 Cb 0.76 0.16 -0.08 0.00 -0.41 0.00 0.00 32.23 32.65 8icr h LYS 87 CO 0.06 -0.46 0.58 0.82 -2.27 0.00 0.00 179.45 178.17 8icr h ILE 88 N -0.72 0.90 -0.72 2.00 2.04 -1.43 0.50 117.51 120.08 8icr h ILE 88 Ca -0.01 -0.32 -0.03 0.00 1.00 0.00 0.00 64.86 65.51 8icr h ILE 88 Cb 0.67 -0.10 -0.03 0.00 -0.74 0.00 0.00 36.82 36.62 8icr h ILE 88 CO -0.10 0.17 0.35 -0.09 0.00 0.00 0.00 178.15 178.47 8icr h ARG 89 N 0.92 1.03 0.09 2.37 1.12 -1.39 -3.12 114.38 115.41 8icr h ARG 89 Ca 0.47 -0.14 -0.00 0.00 -1.11 0.00 0.00 59.98 59.20 8icr h ARG 89 Cb 0.47 -0.19 0.00 0.00 -0.01 0.00 0.00 29.97 30.24 8icr h ARG 89 CO -0.27 0.79 -0.04 1.96 -3.11 0.00 0.00 179.97 179.30 8icr h GLN 90 N 1.03 -0.12 -3.66 0.20 4.20 -0.42 -3.47 115.11 112.86 8icr h GLN 90 Ca 0.25 0.01 -0.40 0.00 0.06 0.00 0.00 58.65 58.57 8icr h GLN 90 Cb 0.10 0.03 -0.05 0.00 0.30 0.00 0.00 27.48 27.85 8icr h GLN 90 CO -0.03 0.25 1.12 -3.47 -0.67 0.00 0.00 178.83 176.03 8icr n ASP 91 N -4.82 0.30 -0.05 1.46 2.03 0.16 -4.86 116.55 110.76 8icr n ASP 91 Ca -0.05 0.23 -0.08 0.00 0.52 0.00 0.00 54.79 55.41 8icr n ASP 91 Cb 0.21 -0.63 -0.01 0.00 -0.72 0.00 0.00 41.12 39.97 8icr n ASP 91 CO 0.00 0.00 0.00 -0.78 -1.92 0.00 0.00 177.20 174.50 8icr h ASP 92 N 7.62 -0.68 -0.49 1.67 3.58 -1.89 0.26 116.42 126.49 8icr h ASP 92 Ca -0.05 0.13 0.09 0.00 0.42 0.00 0.00 57.03 57.63 8icr h ASP 92 Cb 0.93 0.33 -0.08 0.00 1.72 0.00 0.00 39.33 42.23 8icr h ASP 92 CO 0.89 -0.25 -0.02 0.74 -2.88 0.00 0.00 179.24 177.73 8icr h THR 93 N -0.21 0.60 -0.10 2.25 2.02 -1.96 0.12 112.91 115.64 8icr h THR 93 Ca 0.14 -0.03 -0.11 0.00 0.77 0.00 0.00 66.41 67.18 8icr h THR 93 Cb 0.42 0.50 -0.01 0.00 -1.74 0.00 0.00 68.15 67.32 8icr h THR 93 CO -0.38 0.02 -0.43 -1.28 0.37 0.00 0.00 175.52 173.82 8icr h SER 94 N 0.10 0.25 -0.71 4.18 0.87 -1.76 -0.52 113.55 115.96 8icr h SER 94 Ca 0.24 -0.11 0.04 0.00 -1.23 0.00 0.00 61.79 60.73 8icr h SER 94 Cb 0.37 -0.07 -0.05 0.00 -0.44 0.00 0.00 62.40 62.21 8icr h SER 94 CO -0.42 0.66 0.44 0.28 -0.53 0.00 0.00 176.83 177.26 8icr h SER 95 N 0.20 0.71 -0.09 6.23 0.02 0.18 0.08 113.55 120.88 8icr h SER 95 Ca 0.02 0.01 -0.00 0.00 -0.84 0.00 0.00 61.79 60.97 8icr h SER 95 Cb 0.85 -0.15 -0.00 0.00 0.14 0.00 0.00 62.40 63.24 8icr h SER 95 CO 0.07 0.48 0.04 0.28 -1.14 0.00 0.00 176.83 176.56 8icr h SER 96 N 0.84 0.11 -0.30 3.07 0.02 -0.47 -1.74 113.55 115.08 8icr h SER 96 Ca 0.29 -0.12 -0.05 0.00 -0.84 0.00 0.00 61.79 61.07 8icr h SER 96 Cb 0.06 -0.03 -0.02 0.00 0.14 0.00 0.00 62.40 62.55 8icr h SER 96 CO -0.12 0.20 0.04 0.40 -1.14 0.00 0.00 176.83 176.20 8icr h ILE 97 N 0.02 1.20 -0.79 3.27 2.04 -0.70 -0.36 117.51 122.18 8icr h ILE 97 Ca 0.03 -0.79 -0.01 0.00 1.00 0.00 0.00 64.86 65.09 8icr h ILE 97 Cb 0.12 0.87 -0.04 0.00 -0.74 0.00 0.00 36.82 37.03 8icr h ILE 97 CO -0.00 0.28 0.47 0.78 0.00 0.00 0.00 178.15 179.68 8icr h ASN 98 N 0.59 0.96 -0.02 1.72 -0.26 -0.47 -3.00 115.58 115.10 8icr h ASN 98 Ca 0.13 -0.07 -0.08 0.00 -0.56 0.00 0.00 56.30 55.72 8icr h ASN 98 Cb 0.32 -0.24 0.01 0.00 -1.06 0.00 0.00 38.32 37.34 8icr h ASN 98 CO 0.01 0.75 -0.28 0.15 -1.06 0.00 0.00 177.43 176.99 8icr h PHE 99 N 1.09 0.32 -0.65 1.19 3.04 -0.81 -3.34 116.94 117.78 8icr h PHE 99 Ca 0.28 -0.16 0.03 0.00 3.98 0.00 0.00 57.97 62.11 8icr h PHE 99 Cb -0.03 -0.04 -0.04 0.00 2.56 0.00 0.00 35.95 38.40 8icr h PHE 99 CO -0.00 0.93 0.43 -0.07 -2.02 0.00 0.00 178.31 177.58 8icr h LEU 100 N -0.37 0.66 -2.21 0.59 -0.00 -1.16 -0.42 115.31 112.40 8icr h LEU 100 Ca -0.03 -0.01 0.04 0.00 -0.00 0.00 0.00 57.88 57.89 8icr h LEU 100 Cb 0.99 -0.15 -0.01 0.00 -0.00 0.00 0.00 40.66 41.49 8icr h LEU 100 CO 0.06 0.45 0.26 0.74 -0.00 0.00 0.00 178.44 179.95 8icr h THR 101 N 0.77 0.25 0.00 0.22 2.02 -1.64 -1.80 112.91 112.72 8icr h THR 101 Ca 0.26 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.44 8icr h THR 101 Cb 0.08 0.77 0.00 0.00 -1.74 0.00 0.00 68.15 67.26 8icr h THR 101 CO -0.07 0.00 0.00 0.03 0.37 0.00 0.00 175.52 175.85 8icr h ARG 102 N 0.00 0.00 -6.39 6.66 3.08 -1.23 -3.43 114.38 113.07 8icr h ARG 102 Ca 0.07 0.00 -0.54 0.00 0.07 0.00 0.00 59.98 59.58 8icr h ARG 102 Cb 0.60 0.00 -0.02 0.00 0.08 0.00 0.00 29.97 30.63 8icr h ARG 102 CO -0.00 0.00 0.51 0.08 -1.07 0.00 0.00 179.97 179.49 8icr s VAL 103 N -3.43 4.51 0.08 2.04 1.01 -0.68 -4.95 120.40 118.99 8icr s VAL 103 Ca 0.03 1.81 -0.32 0.00 0.00 0.00 0.00 61.98 63.49 8icr s VAL 103 Cb 0.09 -4.16 -0.11 0.00 0.00 0.00 0.00 36.38 32.20 8icr s VAL 103 CO 0.40 0.09 1.82 -0.24 0.00 0.00 0.00 175.10 177.17 8icr n SER 104 N 4.32 3.76 0.00 3.32 2.88 -1.26 -1.02 113.62 125.61 8icr n SER 104 Ca 0.08 0.99 0.00 0.00 -1.33 0.00 0.00 58.87 58.61 8icr n SER 104 Cb 0.48 -1.48 0.00 0.00 -0.75 0.00 0.00 64.21 62.46 8icr n SER 104 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 8icr n GLY 105 N 4.16 0.62 3.17 0.46 0.00 -1.26 -3.89 105.19 108.45 8icr n GLY 105 Ca 0.19 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.89 8icr n GLY 105 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8icr s ILE 106 N -2.00 1.99 0.53 -0.61 1.01 -0.19 -4.71 121.20 117.23 8icr s ILE 106 Ca 0.00 -0.95 0.04 0.00 0.00 0.00 0.00 60.65 59.74 8icr s ILE 106 Cb 0.00 -1.75 0.02 0.00 0.01 0.00 0.00 42.46 40.74 8icr s ILE 106 CO 0.00 0.54 0.28 -0.83 0.00 0.00 0.00 174.94 174.93 8icr s GLY 107 N 0.69 2.57 0.19 6.18 0.00 -1.26 -4.61 107.32 111.08 8icr s GLY 107 Ca -0.11 -0.99 -0.13 0.00 0.00 0.00 0.00 44.72 43.49 8icr s GLY 107 CO 0.01 -2.02 1.72 -0.56 0.00 0.00 0.00 173.10 172.26 8icr h PRO 108 N 0.93 0.26 -0.47 2.90 0.13 -1.93 0.56 132.00 134.38 8icr h PRO 108 Ca -0.39 -0.02 0.08 0.00 -0.87 0.00 0.00 66.00 64.80 8icr h PRO 108 Cb 1.31 -0.06 -0.07 0.00 0.13 0.00 0.00 31.00 32.31 8icr h PRO 108 CO 0.62 0.17 0.10 1.03 -0.23 0.00 0.00 178.00 179.69 8icr h SER 109 N 0.27 0.01 0.15 1.44 0.87 -1.96 0.39 113.55 114.71 8icr h SER 109 Ca 0.25 0.08 -0.19 0.00 -1.23 0.00 0.00 61.79 60.71 8icr h SER 109 Cb 0.32 0.11 -0.00 0.00 -0.44 0.00 0.00 62.40 62.39 8icr h SER 109 CO -0.31 0.03 -0.71 0.00 -0.53 0.00 0.00 176.83 175.32 8icr h ALA 110 N 1.37 0.56 -0.98 6.23 0.00 -1.74 -2.87 119.26 121.84 8icr h ALA 110 Ca 0.24 -0.59 0.10 0.00 0.00 0.00 0.00 54.91 54.66 8icr h ALA 110 Cb 0.31 -0.06 -0.08 0.00 0.00 0.00 0.00 17.79 17.96 8icr h ALA 110 CO -0.31 0.74 0.62 0.00 0.00 0.00 0.00 179.25 180.30 8icr h ALA 111 N 0.88 1.53 0.81 0.00 0.00 0.18 -1.75 119.26 120.90 8icr h ALA 111 Ca -0.03 0.00 -0.04 0.00 0.00 0.00 0.00 54.91 54.85 8icr h ALA 111 Cb 1.29 -0.23 0.01 0.00 0.00 0.00 0.00 17.79 18.85 8icr h ALA 111 CO 0.13 0.26 -0.39 0.00 0.00 0.00 0.00 179.25 179.25 8icr h ARG 112 N 1.01 -1.04 -0.75 0.00 3.08 -0.10 -2.96 114.38 113.62 8icr h ARG 112 Ca 0.46 0.07 0.17 0.00 0.07 0.00 0.00 59.98 60.75 8icr h ARG 112 Cb 0.40 0.24 -0.13 0.00 0.08 0.00 0.00 29.97 30.55 8icr h ARG 112 CO -0.22 -0.69 0.01 -0.22 -1.07 0.00 0.00 179.97 177.78 8icr h LYS 113 N -1.14 0.10 -0.86 0.04 3.64 -1.27 0.90 116.57 117.98 8icr h LYS 113 Ca -0.11 -0.01 0.05 0.00 -1.27 0.00 0.00 60.65 59.31 8icr h LYS 113 Cb 0.84 -0.02 -0.05 0.00 -0.41 0.00 0.00 32.23 32.58 8icr h LYS 113 CO 0.18 0.07 0.56 0.74 -2.27 0.00 0.00 179.45 178.73 8icr h PHE 114 N 0.11 1.00 -0.09 1.91 0.04 -1.31 0.22 116.94 118.82 8icr h PHE 114 Ca 0.41 0.03 -0.21 0.00 2.80 0.00 0.00 57.97 60.99 8icr h PHE 114 Cb 0.72 -0.33 0.00 0.00 2.20 0.00 0.00 35.95 38.55 8icr h PHE 114 CO -0.42 0.55 -0.81 0.28 -0.60 0.00 0.00 178.31 177.31 8icr h VAL 115 N 1.00 1.33 -0.18 -0.55 2.07 -1.09 4.26 116.25 123.10 8icr h VAL 115 Ca 0.36 -2.13 0.03 0.00 0.82 0.00 0.00 66.70 65.77 8icr h VAL 115 Cb 0.13 2.14 -0.03 0.00 -1.52 0.00 0.00 31.29 32.01 8icr h VAL 115 CO -0.12 0.66 -0.00 0.44 0.02 0.00 0.00 177.57 178.56 8icr h ASP 116 N 0.38 -0.08 0.64 0.57 5.19 0.96 1.71 116.42 125.80 8icr h ASP 116 Ca -0.06 0.04 0.00 0.00 -0.62 0.00 0.00 57.03 56.39 8icr h ASP 116 Cb 1.43 0.07 0.00 0.00 0.18 0.00 0.00 39.33 41.01 8icr h ASP 116 CO 0.15 -0.02 0.00 -0.33 -3.12 0.00 0.00 179.24 175.93 8icr h GLU 117 N 0.05 0.00 0.00 3.56 5.08 -0.53 -3.46 114.58 119.28 8icr h GLU 117 Ca 0.08 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.44 8icr h GLU 117 Cb 0.11 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.36 8icr h GLU 117 CO -0.15 0.00 0.00 0.41 -1.00 0.00 0.00 179.01 178.27 8icr n GLY 118 N -0.22 1.79 3.29 -3.84 0.00 0.58 -5.06 105.19 101.74 8icr n GLY 118 Ca 0.01 0.00 -0.45 0.00 0.00 0.00 0.00 46.02 45.58 8icr n GLY 118 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 8icr s ILE 119 N -2.00 5.16 -0.11 -0.61 1.01 1.38 -4.82 121.20 121.21 8icr s ILE 119 Ca 0.00 -1.99 0.13 0.00 0.00 0.00 0.00 60.65 58.79 8icr s ILE 119 Cb 0.00 -4.27 -0.19 0.00 0.01 0.00 0.00 42.46 38.02 8icr s ILE 119 CO 0.00 -0.92 0.11 0.29 0.00 0.00 0.00 174.94 174.42 8icr n LYS 120 N 4.62 1.44 -4.19 2.79 5.02 -1.26 -3.63 118.16 122.94 8icr n LYS 120 Ca -0.01 -0.04 -0.23 0.00 -2.02 0.00 0.00 58.31 56.01 8icr n LYS 120 Cb 0.43 -1.36 -0.06 0.00 -0.02 0.00 0.00 35.03 34.02 8icr n LYS 120 CO 0.00 0.00 0.00 -0.08 -0.52 0.00 0.00 177.40 176.80 8icr s THR 121 N -2.50 3.62 0.41 -0.18 -1.32 -1.26 -4.78 115.64 109.64 8icr s THR 121 Ca -0.07 -1.71 0.09 0.00 -1.21 0.00 0.00 61.69 58.79 8icr s THR 121 Cb 0.05 -3.03 0.30 0.00 -1.51 0.00 0.00 72.50 68.31 8icr s THR 121 CO 0.58 -0.32 2.01 0.25 -2.21 0.00 0.00 174.62 174.93 8icr h LEU 122 N 1.69 0.48 -0.34 9.08 6.46 -1.98 0.75 115.31 131.45 8icr h LEU 122 Ca -0.45 -0.00 -0.19 0.00 -0.12 0.00 0.00 57.88 57.11 8icr h LEU 122 Cb 1.25 -0.11 0.00 0.00 -0.73 0.00 0.00 40.66 41.07 8icr h LEU 122 CO 0.61 0.32 -0.72 -0.33 -0.62 0.00 0.00 178.44 177.70 8icr h GLU 123 N 0.55 0.57 -0.74 1.25 5.08 -1.98 -1.19 114.58 118.12 8icr h GLU 123 Ca 0.24 -0.44 -0.00 0.00 -1.00 0.00 0.00 59.36 58.15 8icr h GLU 123 Cb 0.24 0.09 -0.04 0.00 0.50 0.00 0.00 28.75 29.54 8icr h GLU 123 CO -0.07 1.07 0.46 -0.44 -1.00 0.00 0.00 179.01 179.03 8icr h ASP 124 N 0.39 0.88 -0.50 1.42 3.32 -0.74 0.43 116.42 121.63 8icr h ASP 124 Ca -0.03 -0.04 -0.01 0.00 0.02 0.00 0.00 57.03 56.96 8icr h ASP 124 Cb 1.31 -0.22 -0.02 0.00 0.22 0.00 0.00 39.33 40.61 8icr h ASP 124 CO 0.13 0.67 0.27 -0.07 -1.72 0.00 0.00 179.24 178.52 8icr h LEU 125 N 1.02 0.63 -0.44 1.55 3.38 0.67 -3.03 115.31 119.08 8icr h LEU 125 Ca 0.27 -0.10 -0.04 0.00 0.09 0.00 0.00 57.88 58.10 8icr h LEU 125 Cb -0.06 -0.16 -0.02 0.00 0.09 0.00 0.00 40.66 40.52 8icr h LEU 125 CO -0.05 0.55 0.12 0.03 0.09 0.00 0.00 178.44 179.18 8icr h ARG 126 N 0.66 0.70 0.00 1.13 3.08 0.71 -2.54 114.38 118.12 8icr h ARG 126 Ca 0.17 -0.16 0.00 0.00 0.07 0.00 0.00 59.98 60.07 8icr h ARG 126 Cb 0.06 -0.10 0.00 0.00 0.08 0.00 0.00 29.97 30.02 8icr h ARG 126 CO -0.03 0.69 0.00 1.63 -1.07 0.00 0.00 179.97 181.19 8icr n LYS 127 N -4.54 0.06 -2.44 0.04 4.76 0.11 -2.76 118.16 113.39 8icr n LYS 127 Ca 0.00 0.39 -0.16 0.00 -2.87 0.00 0.00 58.31 55.67 8icr n LYS 127 Cb 0.20 -1.63 0.02 0.00 -1.84 0.00 0.00 35.03 31.79 8icr n LYS 127 CO 0.00 0.00 0.00 0.09 -1.37 0.00 0.00 177.40 176.12 8icr n ASN 128 N -1.73 3.45 -0.19 4.39 3.02 -0.97 -4.86 115.26 118.37 8icr n ASN 128 Ca 0.02 -3.14 0.30 0.00 -0.03 0.00 0.00 54.58 51.73 8icr n ASN 128 Cb 0.13 -0.44 0.73 0.00 -0.61 0.00 0.00 39.78 39.59 8icr n ASN 128 CO 0.00 0.00 0.00 -0.08 -2.62 0.00 0.00 177.26 174.56 8icr h GLU 129 N 2.52 0.00 -0.77 3.52 4.81 -1.36 -2.59 114.58 120.71 8icr h GLU 129 Ca 0.15 0.00 0.01 0.00 -0.13 0.00 0.00 59.36 59.38 8icr h GLU 129 Cb 1.26 0.00 -0.04 0.00 0.63 0.00 0.00 28.75 30.61 8icr h GLU 129 CO 0.59 0.00 0.51 0.38 -0.73 0.00 0.00 179.01 179.76 8icr h ASP 130 N 0.00 0.89 0.38 1.04 2.03 -1.89 -2.67 116.42 116.20 8icr h ASP 130 Ca 0.44 -0.02 0.00 0.00 -0.73 0.00 0.00 57.03 56.72 8icr h ASP 130 Cb 1.85 -0.22 0.00 0.00 -0.83 0.00 0.00 39.33 40.13 8icr h ASP 130 CO -0.00 0.64 0.00 0.29 -1.03 0.00 0.00 179.24 179.14 8icr n LYS 131 N -4.55 0.03 -3.70 4.15 5.02 -0.97 -4.71 118.16 113.43 8icr n LYS 131 Ca 0.08 0.35 -0.34 0.00 -2.02 0.00 0.00 58.31 56.37 8icr n LYS 131 Cb 0.02 -1.56 -0.05 0.00 -0.02 0.00 0.00 35.03 33.41 8icr n LYS 131 CO 0.00 0.00 0.00 -0.51 -0.52 0.00 0.00 177.40 176.37 8icr s LEU 132 N -3.22 4.36 0.00 -0.35 1.43 -1.01 -5.12 118.68 114.77 8icr s LEU 132 Ca 0.05 0.63 -0.07 0.00 -1.03 0.00 0.00 54.13 53.71 8icr s LEU 132 Cb 0.07 -2.79 0.11 0.00 0.03 0.00 0.00 46.19 43.62 8icr s LEU 132 CO 0.21 0.22 0.69 -0.46 0.23 0.00 0.00 176.35 177.24 8icr n ASN 133 N 1.02 0.25 0.17 2.29 6.94 -1.26 -4.79 115.26 119.87 8icr n ASN 133 Ca -0.10 -1.37 -0.14 0.00 -0.02 0.00 0.00 54.58 52.95 8icr n ASN 133 Cb 0.53 -0.51 -0.08 0.00 -2.36 0.00 0.00 39.78 37.36 8icr n ASN 133 CO 0.00 0.00 0.00 -0.74 -1.03 0.00 0.00 177.26 175.49 8icr h HIS 134 N -1.17 -0.34 -0.66 -2.53 -0.00 -1.98 0.11 115.15 108.58 8icr h HIS 134 Ca -0.22 -0.01 0.08 0.00 -0.00 0.00 0.00 60.37 60.22 8icr h HIS 134 Cb 0.67 0.12 -0.10 0.00 -0.00 0.00 0.00 27.41 28.09 8icr h HIS 134 CO 0.00 -0.21 -0.52 1.25 -0.00 0.00 0.00 177.93 178.45 8icr h HIS 135 N -0.36 -1.59 -0.64 5.26 6.17 -1.91 0.30 115.15 122.39 8icr h HIS 135 Ca -0.03 0.10 0.03 0.00 0.71 0.00 0.00 60.37 61.18 8icr h HIS 135 Cb 0.28 0.78 -0.04 0.00 2.52 0.00 0.00 27.41 30.96 8icr h HIS 135 CO -0.07 -0.43 0.42 1.96 0.71 0.00 0.00 177.93 180.52 8icr h GLN 136 N -0.21 0.74 -0.43 5.26 4.20 -1.66 0.13 115.11 123.13 8icr h GLN 136 Ca 0.15 -0.04 -0.06 0.00 0.06 0.00 0.00 58.65 58.75 8icr h GLN 136 Cb 0.54 -0.17 -0.02 0.00 0.30 0.00 0.00 27.48 28.13 8icr h GLN 136 CO -0.74 0.49 0.02 0.00 -0.67 0.00 0.00 178.83 177.93 8icr h ARG 137 N 0.76 0.75 -0.39 1.46 3.08 0.13 -0.74 114.38 119.44 8icr h ARG 137 Ca 0.25 -0.23 -0.12 0.00 0.07 0.00 0.00 59.98 59.96 8icr h ARG 137 Cb 0.07 -0.07 -0.01 0.00 0.08 0.00 0.00 29.97 30.03 8icr h ARG 137 CO -0.07 0.81 -0.21 0.82 -1.07 0.00 0.00 179.97 180.25 8icr h ILE 138 N 0.60 1.28 -0.40 2.04 1.08 0.44 -1.06 117.51 121.48 8icr h ILE 138 Ca 0.13 -1.36 -0.00 0.00 -0.39 0.00 0.00 64.86 63.24 8icr h ILE 138 Cb 0.45 1.31 -0.02 0.00 -3.07 0.00 0.00 36.82 35.50 8icr h ILE 138 CO 0.02 0.45 0.25 1.23 -0.69 0.00 0.00 178.15 179.41 8icr h GLY 139 N 0.64 0.57 1.46 5.37 0.00 -0.58 -1.65 103.07 108.89 8icr h GLY 139 Ca 0.08 -0.23 -0.27 0.00 0.00 0.00 0.00 47.33 46.92 8icr h GLY 139 CO 0.06 0.22 -1.14 -2.00 0.00 0.00 0.00 176.54 173.68 8icr h LEU 140 N 0.55 0.63 -0.46 3.11 5.85 -1.02 -2.79 115.31 121.18 8icr h LEU 140 Ca 0.15 -0.58 0.02 0.00 0.84 0.00 0.00 57.88 58.31 8icr h LEU 140 Cb -0.03 -0.20 -0.03 0.00 0.37 0.00 0.00 40.66 40.77 8icr h LEU 140 CO -0.03 1.41 0.27 0.50 -0.34 0.00 0.00 178.44 180.25 8icr h LYS 141 N 0.20 0.53 -1.16 1.25 3.64 -0.43 -3.06 116.57 117.55 8icr h LYS 141 Ca -0.14 -0.03 -0.63 0.00 -1.27 0.00 0.00 60.65 58.58 8icr h LYS 141 Cb 1.82 -0.12 -0.37 0.00 -0.41 0.00 0.00 32.23 33.15 8icr h LYS 141 CO 0.20 0.35 -0.05 0.66 -2.27 0.00 0.00 179.45 178.35 8icr n TYR 142 N -4.83 3.05 -0.36 1.91 4.01 -0.69 -4.78 117.16 115.48 8icr n TYR 142 Ca 0.02 -2.64 -0.00 0.00 -0.16 0.00 0.00 57.90 55.12 8icr n TYR 142 Cb 0.06 -0.72 0.13 0.00 -0.31 0.00 0.00 39.34 38.50 8icr n TYR 142 CO 0.00 0.00 0.00 0.35 -0.46 0.00 0.00 176.86 176.75 8icr h PHE 143 N 2.33 1.18 0.14 -0.72 3.04 -1.39 0.97 116.94 122.50 8icr h PHE 143 Ca 0.45 0.03 -0.01 0.00 3.98 0.00 0.00 57.97 62.42 8icr h PHE 143 Cb 0.99 -0.39 0.00 0.00 2.56 0.00 0.00 35.95 39.11 8icr h PHE 143 CO 1.06 0.68 -0.07 0.78 -2.02 0.00 0.00 178.31 178.74 8icr h GLY 144 N 1.22 -0.20 -0.19 2.40 0.00 -1.87 -2.77 103.07 101.66 8icr h GLY 144 Ca 0.38 0.07 0.28 0.00 0.00 0.00 0.00 47.33 48.07 8icr h GLY 144 CO -0.12 -0.07 0.69 -0.55 0.00 0.00 0.00 176.54 176.48 8icr h ASP 145 N -0.26 0.40 0.16 0.19 5.19 -1.84 -0.25 116.42 120.01 8icr h ASP 145 Ca -0.02 0.08 -0.10 0.00 -0.62 0.00 0.00 57.03 56.37 8icr h ASP 145 Cb 0.15 0.02 -0.01 0.00 0.18 0.00 0.00 39.33 39.66 8icr h ASP 145 CO 0.03 0.07 -0.34 -0.26 -3.12 0.00 0.00 179.24 175.62 8icr h PHE 146 N 0.34 0.30 0.00 4.55 0.04 -0.81 -2.99 116.94 118.38 8icr h PHE 146 Ca 0.60 -0.07 -0.05 0.00 2.80 0.00 0.00 57.97 61.24 8icr h PHE 146 Cb 1.61 -0.07 -0.01 0.00 2.20 0.00 0.00 35.95 39.68 8icr h PHE 146 CO -0.00 0.58 -0.26 0.93 -0.60 0.00 0.00 178.31 178.96 8icr h GLU 147 N 0.23 0.00 -6.91 1.51 5.08 -0.74 -3.46 114.58 110.30 8icr h GLU 147 Ca 0.03 0.00 -0.49 0.00 -1.00 0.00 0.00 59.36 57.90 8icr h GLU 147 Cb 0.72 0.00 0.02 0.00 0.50 0.00 0.00 28.75 29.99 8icr h GLU 147 CO 0.05 0.26 0.43 0.15 -1.00 0.00 0.00 179.01 178.90 8icr s LYS 148 N -3.83 4.34 0.60 2.33 1.02 -1.13 -5.07 119.74 117.99 8icr s LYS 148 Ca -0.01 1.60 -0.15 0.00 0.02 0.00 0.00 55.97 57.43 8icr s LYS 148 Cb 0.12 -2.76 -0.04 0.00 -0.52 0.00 0.00 37.83 34.63 8icr s LYS 148 CO 0.65 -0.01 1.05 1.03 -0.92 0.00 0.00 175.35 177.15 8icr s ARG 149 N -2.13 3.34 -0.39 1.68 1.81 -1.26 -4.92 118.95 117.08 8icr s ARG 149 Ca 0.53 1.14 -0.15 0.00 -1.72 0.00 0.00 55.73 55.52 8icr s ARG 149 Cb -0.25 -2.04 0.01 0.00 -0.45 0.00 0.00 34.95 32.22 8icr s ARG 149 CO 0.32 -0.78 0.35 0.42 -0.68 0.00 0.00 175.30 174.92 8icr s ILE 150 N -2.56 5.19 0.17 1.52 1.01 1.39 -4.89 121.20 123.02 8icr s ILE 150 Ca 0.62 -0.33 -0.31 0.00 0.00 0.00 0.00 60.65 60.63 8icr s ILE 150 Cb -0.15 -3.91 -0.09 0.00 0.01 0.00 0.00 42.46 38.32 8icr s ILE 150 CO 0.39 -0.25 1.47 -2.16 0.00 0.00 0.00 174.94 174.39 8icr s PRO 151 N 1.91 4.27 0.44 2.79 0.04 -1.26 -0.10 135.00 143.09 8icr s PRO 151 Ca 0.09 2.23 0.26 0.00 0.04 0.00 0.00 61.00 63.62 8icr s PRO 151 Cb -0.18 -3.18 1.29 0.00 0.04 0.00 0.00 34.50 32.47 8icr s PRO 151 CO 0.12 -0.49 1.74 -0.09 0.04 0.00 0.00 177.00 178.31 8icr h ARG 152 N 6.39 0.22 -0.94 4.56 2.43 -1.04 0.17 114.38 126.18 8icr h ARG 152 Ca -0.43 -0.01 0.16 0.00 -0.81 0.00 0.00 59.98 58.89 8icr h ARG 152 Cb 1.21 -0.05 -0.08 0.00 -0.42 0.00 0.00 29.97 30.63 8icr h ARG 152 CO 0.86 0.15 0.60 0.93 -1.51 0.00 0.00 179.97 181.00 8icr h GLU 153 N 0.23 0.68 0.10 0.20 4.39 -1.89 0.11 114.58 118.39 8icr h GLU 153 Ca 0.65 -0.04 -0.29 0.00 0.34 0.00 0.00 59.36 60.02 8icr h GLU 153 Cb 1.97 -0.15 -0.01 0.00 -0.10 0.00 0.00 28.75 30.46 8icr h GLU 153 CO -0.26 0.45 -1.42 0.93 -1.16 0.00 0.00 179.01 177.56 8icr h GLU 154 N 0.70 0.21 -0.89 2.33 5.08 -1.09 -3.25 114.58 117.67 8icr h GLU 154 Ca 0.49 -0.36 0.04 0.00 -1.00 0.00 0.00 59.36 58.52 8icr h GLU 154 Cb 0.81 0.14 -0.05 0.00 0.50 0.00 0.00 28.75 30.14 8icr h GLU 154 CO -0.25 1.09 0.57 0.52 -1.00 0.00 0.00 179.01 179.95 8icr h MET 155 N 0.06 1.07 -0.71 2.33 2.86 0.17 0.13 114.93 120.84 8icr h MET 155 Ca -0.19 -0.06 -0.04 0.00 -2.06 0.00 0.00 59.70 57.34 8icr h MET 155 Cb 1.98 -0.24 -0.03 0.00 0.06 0.00 0.00 31.60 33.36 8icr h MET 155 CO 0.16 0.71 0.28 -0.07 1.06 0.00 0.00 176.91 179.06 8icr h LEU 156 N 1.11 0.97 -0.52 1.22 3.38 -0.94 0.11 115.31 120.63 8icr h LEU 156 Ca 0.36 -0.14 -0.15 0.00 0.09 0.00 0.00 57.88 58.04 8icr h LEU 156 Cb 0.03 -0.25 -0.02 0.00 0.09 0.00 0.00 40.66 40.51 8icr h LEU 156 CO -0.13 0.86 -0.72 0.06 0.09 0.00 0.00 178.44 178.61 8icr h GLN 157 N 1.03 0.00 0.25 1.13 3.07 -1.26 -1.22 115.11 118.11 8icr h GLN 157 Ca 0.24 0.00 -0.01 0.00 0.09 0.00 0.00 58.65 58.97 8icr h GLN 157 Cb 0.20 0.00 0.00 0.00 0.08 0.00 0.00 27.48 27.76 8icr h GLN 157 CO -0.02 0.72 -0.12 0.52 0.09 0.00 0.00 178.83 180.02 8icr h MET 158 N 0.00 -0.32 -0.97 0.06 2.86 -0.48 -2.41 114.93 113.66 8icr h MET 158 Ca -0.01 0.02 0.19 0.00 -2.06 0.00 0.00 59.70 57.85 8icr h MET 158 Cb 1.29 0.07 -0.11 0.00 0.06 0.00 0.00 31.60 32.92 8icr h MET 158 CO 0.09 0.04 0.57 0.37 1.06 0.00 0.00 176.91 179.04 8icr h GLN 159 N -0.90 0.68 0.32 1.72 4.15 -0.84 0.13 115.11 120.37 8icr h GLN 159 Ca -0.03 -0.04 -0.01 0.00 0.77 0.00 0.00 58.65 59.34 8icr h GLN 159 Cb 0.50 -0.15 -0.02 0.00 0.21 0.00 0.00 27.48 28.02 8icr h GLN 159 CO 0.06 0.45 -0.41 0.22 -1.93 0.00 0.00 178.83 177.21 8icr h ASP 160 N 0.70 -1.15 -0.03 -0.69 3.58 -1.19 -2.35 116.42 115.28 8icr h ASP 160 Ca 0.57 0.10 0.03 0.00 0.42 0.00 0.00 57.03 58.15 8icr h ASP 160 Cb 0.91 0.39 -0.04 0.00 1.72 0.00 0.00 39.33 42.31 8icr h ASP 160 CO -0.40 -0.51 -0.22 0.40 -2.88 0.00 0.00 179.24 175.63 8icr h ILE 161 N -0.75 0.48 -0.41 2.25 2.04 -0.66 -2.98 117.51 117.49 8icr h ILE 161 Ca -0.04 0.00 0.08 0.00 1.00 0.00 0.00 64.86 65.90 8icr h ILE 161 Cb 0.67 0.48 -0.08 0.00 -0.74 0.00 0.00 36.82 37.15 8icr h ILE 161 CO -0.10 0.00 -0.13 0.58 0.00 0.00 0.00 178.15 178.50 8icr h VAL 162 N -0.33 0.53 0.00 1.67 2.07 -0.75 -1.63 116.25 117.81 8icr h VAL 162 Ca 0.07 0.00 -0.01 0.00 0.82 0.00 0.00 66.70 67.58 8icr h VAL 162 Cb 0.43 0.53 -0.00 0.00 -1.52 0.00 0.00 31.29 30.72 8icr h VAL 162 CO -0.22 0.00 -0.05 -0.07 0.02 0.00 0.00 177.57 177.25 8icr h LEU 163 N -0.04 0.00 0.10 2.57 3.38 -1.29 -2.41 115.31 117.62 8icr h LEU 163 Ca 0.20 0.00 -0.00 0.00 0.09 0.00 0.00 57.88 58.16 8icr h LEU 163 Cb 0.35 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.10 8icr h LEU 163 CO -0.44 0.05 -0.05 0.78 0.09 0.00 0.00 178.44 178.87 8icr h ASN 164 N 0.00 -0.11 -0.68 -0.43 2.35 -1.16 -2.91 115.58 112.64 8icr h ASN 164 Ca -0.00 -0.46 -0.01 0.00 -0.55 0.00 0.00 56.30 55.28 8icr h ASN 164 Cb 0.18 0.03 -0.03 0.00 0.05 0.00 0.00 38.32 38.55 8icr h ASN 164 CO 0.01 0.52 0.38 -0.33 -1.65 0.00 0.00 177.43 176.36 8icr h GLU 165 N -0.87 0.94 -0.48 0.81 4.39 -1.47 0.36 114.58 118.25 8icr h GLU 165 Ca -0.01 -0.11 0.08 0.00 0.34 0.00 0.00 59.36 59.66 8icr h GLU 165 Cb 0.57 -0.19 -0.10 0.00 -0.10 0.00 0.00 28.75 28.93 8icr h GLU 165 CO 0.02 0.70 -0.39 0.28 -1.16 0.00 0.00 179.01 178.46 8icr h VAL 166 N 0.93 0.14 -0.44 3.13 2.07 -1.50 0.97 116.25 121.55 8icr h VAL 166 Ca 0.24 0.00 -0.03 0.00 0.82 0.00 0.00 66.70 67.73 8icr h VAL 166 Cb 0.03 0.14 -0.02 0.00 -1.52 0.00 0.00 31.29 29.92 8icr h VAL 166 CO -0.04 0.00 0.16 0.50 0.02 0.00 0.00 177.57 178.21 8icr h LYS 167 N -0.26 0.66 0.00 1.57 3.64 -1.27 -0.01 116.57 120.90 8icr h LYS 167 Ca 0.17 -0.13 0.00 0.00 -1.27 0.00 0.00 60.65 59.43 8icr h LYS 167 Cb 0.56 -0.10 0.00 0.00 -0.41 0.00 0.00 32.23 32.28 8icr h LYS 167 CO -0.62 0.62 0.00 1.57 -2.27 0.00 0.00 179.45 178.75 8icr h LYS 168 N 0.56 0.00 0.00 1.90 2.10 0.23 -2.70 116.57 118.66 8icr h LYS 168 Ca 0.14 0.00 -0.01 0.00 -2.00 0.00 0.00 60.65 58.78 8icr h LYS 168 Cb 0.22 0.00 -0.00 0.00 -0.90 0.00 0.00 32.23 31.54 8icr h LYS 168 CO -0.01 0.00 -0.17 -0.24 -2.00 0.00 0.00 179.45 177.03 8icr h VAL 169 N 0.00 0.24 -3.92 0.07 3.04 0.27 -3.47 116.25 112.49 8icr h VAL 169 Ca 0.00 -1.20 -0.19 0.00 -1.01 0.00 0.00 66.70 64.30 8icr h VAL 169 Cb 0.12 0.48 -0.23 0.00 -2.01 0.00 0.00 31.29 29.65 8icr h VAL 169 CO 0.00 0.08 -0.71 -0.62 -1.01 0.00 0.00 177.57 175.32 8icr s ASP 170 N -5.73 0.22 0.10 3.17 -1.08 -0.70 -5.02 116.67 107.62 8icr s ASP 170 Ca -0.07 -0.38 0.16 0.00 -0.52 0.00 0.00 52.55 51.74 8icr s ASP 170 Cb 0.00 0.07 -0.10 0.00 -1.46 0.00 0.00 42.92 41.43 8icr s ASP 170 CO 0.15 -0.22 0.94 -1.28 0.52 0.00 0.00 175.17 175.28 8icr h SER 171 N 5.00 0.00 0.00 -0.34 0.87 -1.79 -3.31 113.55 113.97 8icr h SER 171 Ca -0.30 0.00 0.00 0.00 -1.23 0.00 0.00 61.79 60.26 8icr h SER 171 Cb 1.21 0.00 0.00 0.00 -0.44 0.00 0.00 62.40 63.17 8icr h SER 171 CO 0.43 0.58 0.00 1.21 -0.53 0.00 0.00 176.83 178.52 8icr n GLU 172 N -2.96 0.66 -3.15 2.24 4.07 -1.26 -4.80 120.64 115.44 8icr n GLU 172 Ca -0.07 0.00 -0.39 0.00 -0.06 0.00 0.00 57.16 56.63 8icr n GLU 172 Cb 0.83 -1.02 -0.05 0.00 -0.06 0.00 0.00 31.44 31.13 8icr n GLU 172 CO 0.00 0.00 0.00 0.71 -0.06 0.00 0.00 177.13 177.78 8icr s TYR 173 N -2.00 3.69 -0.22 4.31 2.02 -1.25 -4.28 117.35 119.62 8icr s TYR 173 Ca 0.01 1.26 -0.01 0.00 -0.37 0.00 0.00 57.07 57.95 8icr s TYR 173 Cb 0.01 -2.66 0.01 0.00 -0.40 0.00 0.00 41.96 38.92 8icr s TYR 173 CO 0.01 0.33 -0.10 0.42 -1.57 0.00 0.00 175.55 174.63 8icr s ILE 174 N -0.13 2.75 0.14 2.71 1.01 -1.00 -4.83 121.20 121.86 8icr s ILE 174 Ca 0.33 -0.84 0.10 0.00 0.00 0.00 0.00 60.65 60.23 8icr s ILE 174 Cb -0.19 -2.29 -0.04 0.00 0.01 0.00 0.00 42.46 39.96 8icr s ILE 174 CO 0.18 0.37 -0.22 0.00 0.00 0.00 0.00 174.94 175.27 8icr s ALA 175 N 1.36 2.13 -0.16 9.38 0.00 -1.26 -2.16 121.76 131.06 8icr s ALA 175 Ca 0.03 -1.43 -0.06 0.00 0.00 0.00 0.00 51.96 50.50 8icr s ALA 175 Cb -0.15 -0.28 0.07 0.00 0.00 0.00 0.00 23.12 22.76 8icr s ALA 175 CO -0.07 0.39 0.33 0.99 0.00 0.00 0.00 175.76 177.40 8icr s THR 176 N -1.42 -0.47 -0.37 0.00 2.01 -0.96 -4.94 115.64 109.48 8icr s THR 176 Ca 0.13 0.22 -0.29 0.00 0.31 0.00 0.00 61.69 62.06 8icr s THR 176 Cb -0.09 -0.54 0.02 0.00 0.01 0.00 0.00 72.50 71.90 8icr s THR 176 CO 0.06 0.09 1.19 -0.69 -0.69 0.00 0.00 174.62 174.59 8icr s VAL 177 N 2.40 4.25 0.00 3.82 1.01 -1.26 -1.54 120.40 129.08 8icr s VAL 177 Ca -0.01 1.38 0.00 0.00 0.00 0.00 0.00 61.98 63.35 8icr s VAL 177 Cb -0.12 -4.38 0.00 0.00 0.00 0.00 0.00 36.38 31.88 8icr s VAL 177 CO -0.10 -0.67 0.00 0.00 0.00 0.00 0.00 175.10 174.33 8icr n GLY 179 N 5.00 -1.76 0.23 0.00 0.00 -1.04 -3.86 105.19 103.77 8icr n GLY 179 Ca 0.00 -1.45 -0.04 0.00 0.00 0.00 0.00 46.02 44.53 8icr n GLY 179 CO 0.00 0.00 0.00 1.48 0.00 0.00 0.00 173.32 174.80 8icr h SER 180 N 0.00 0.47 -0.76 1.61 4.64 -1.85 -2.90 113.55 114.76 8icr h SER 180 Ca 0.00 -0.17 0.07 0.00 -0.47 0.00 0.00 61.79 61.22 8icr h SER 180 Cb 0.00 -0.13 -0.06 0.00 -0.31 0.00 0.00 62.40 61.90 8icr h SER 180 CO 0.00 0.75 0.44 0.15 -0.87 0.00 0.00 176.83 177.30 8icr h PHE 181 N 0.40 0.80 -0.89 4.77 3.04 -1.85 -1.53 116.94 121.67 8icr h PHE 181 Ca 0.05 0.03 0.01 0.00 3.98 0.00 0.00 57.97 62.04 8icr h PHE 181 Cb 0.74 -0.24 -0.05 0.00 2.56 0.00 0.00 35.95 38.96 8icr h PHE 181 CO 0.02 0.36 0.59 -0.09 -2.02 0.00 0.00 178.31 177.17 8icr h ARG 182 N 0.77 1.16 -1.00 1.11 9.65 -1.62 -2.89 114.38 121.56 8icr h ARG 182 Ca 0.35 -0.07 -0.22 0.00 -1.10 0.00 0.00 59.98 58.94 8icr h ARG 182 Cb 0.26 -0.26 -0.13 0.00 -1.39 0.00 0.00 29.97 28.45 8icr h ARG 182 CO -0.21 0.76 0.28 0.54 2.80 0.00 0.00 179.97 184.14 8icr n ARG 183 N -4.48 1.53 0.00 0.20 1.74 -0.63 -4.51 116.66 110.51 8icr n ARG 183 Ca 0.10 -1.28 0.00 0.00 -0.77 0.00 0.00 57.85 55.90 8icr n ARG 183 Cb 0.03 -1.50 0.00 0.00 -1.02 0.00 0.00 32.46 29.97 8icr n ARG 183 CO 0.00 0.00 0.00 0.41 -1.52 0.00 0.00 177.63 176.52 8icr n GLY 184 N -0.20 2.60 0.00 -0.13 0.00 -1.08 -4.26 105.19 102.12 8icr n GLY 184 Ca 0.25 -0.59 0.00 0.00 0.00 0.00 0.00 46.02 45.69 8icr n GLY 184 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 8icr n ALA 185 N 0.00 -0.33 0.19 4.61 0.00 -0.88 -4.85 120.51 119.24 8icr n ALA 185 Ca 0.00 0.00 0.05 0.00 0.00 0.00 0.00 53.44 53.49 8icr n ALA 185 Cb 0.00 0.00 0.36 0.00 0.00 0.00 0.00 19.45 19.81 8icr n ALA 185 CO 0.00 0.00 0.00 0.93 0.00 0.00 0.00 177.50 178.43 8icr h GLU 186 N 0.00 0.00 -3.73 0.00 4.39 -1.95 -3.44 114.58 109.86 8icr h GLU 186 Ca 0.00 0.00 -0.09 0.00 0.34 0.00 0.00 59.36 59.61 8icr h GLU 186 Cb 0.00 0.00 -0.15 0.00 -0.10 0.00 0.00 28.75 28.50 8icr h GLU 186 CO 0.00 0.38 -0.38 -1.54 -1.16 0.00 0.00 179.01 176.32 8icr s SER 187 N -6.56 0.09 0.19 1.42 1.04 -1.26 -0.41 113.70 108.21 8icr s SER 187 Ca -0.01 -0.56 0.03 0.00 0.48 0.00 0.00 55.95 55.89 8icr s SER 187 Cb 0.12 0.32 -0.05 0.00 0.10 0.00 0.00 66.02 66.52 8icr s SER 187 CO 0.69 -0.67 -0.02 -0.44 0.98 0.00 0.00 173.24 173.78 8icr s SER 188 N -2.61 1.59 -0.16 7.02 0.01 0.86 -4.82 113.70 115.58 8icr s SER 188 Ca 0.02 -1.16 -0.21 0.00 1.31 0.00 0.00 55.95 55.91 8icr s SER 188 Cb 0.03 0.05 -0.23 0.00 0.21 0.00 0.00 66.02 66.08 8icr s SER 188 CO -0.09 -0.50 0.44 1.23 0.41 0.00 0.00 173.24 174.73 8icr h GLY 189 N 2.62 0.09 -3.07 3.44 0.00 -1.91 4.21 103.07 108.44 8icr h GLY 189 Ca -0.37 -0.22 -0.12 0.00 0.00 0.00 0.00 47.33 46.62 8icr h GLY 189 CO 0.64 0.19 -0.53 0.51 0.00 0.00 0.00 176.54 177.35 8icr s ASP 190 N -6.76 0.28 -0.20 0.19 1.47 -1.26 -4.50 116.67 105.89 8icr s ASP 190 Ca -0.24 -0.92 -0.12 0.00 1.18 0.00 0.00 52.55 52.46 8icr s ASP 190 Cb 0.03 0.30 -0.05 0.00 -0.34 0.00 0.00 42.92 42.86 8icr s ASP 190 CO 0.67 -0.71 0.21 -0.32 0.68 0.00 0.00 175.17 175.70 8icr s MET 191 N -3.93 4.19 -0.83 2.11 -2.45 0.07 -5.01 119.30 113.44 8icr s MET 191 Ca 0.11 -0.09 -0.04 0.00 -1.25 0.00 0.00 55.69 54.42 8icr s MET 191 Cb 0.06 -3.46 0.21 0.00 1.25 0.00 0.00 34.83 32.89 8icr s MET 191 CO -0.07 0.20 0.71 0.34 1.05 0.00 0.00 175.02 177.25 8icr s ASP 192 N 0.60 5.95 -0.14 1.11 -1.08 -1.26 -1.50 116.67 120.35 8icr s ASP 192 Ca 0.12 -3.39 -0.29 0.00 -0.52 0.00 0.00 52.55 48.46 8icr s ASP 192 Cb -0.12 -1.94 -0.01 0.00 -1.46 0.00 0.00 42.92 39.38 8icr s ASP 192 CO 0.02 -0.27 1.07 -0.69 0.52 0.00 0.00 175.17 175.81 8icr s VAL 193 N -0.87 4.63 -0.28 1.11 1.01 -0.37 -2.35 120.40 123.27 8icr s VAL 193 Ca 0.24 1.93 -0.19 0.00 0.00 0.00 0.00 61.98 63.95 8icr s VAL 193 Cb -0.11 -4.24 -0.02 0.00 0.00 0.00 0.00 36.38 32.01 8icr s VAL 193 CO -0.09 -0.07 0.58 -0.76 0.00 0.00 0.00 175.10 174.76 8icr s LEU 194 N 2.55 4.11 0.22 3.92 1.02 -0.59 -2.70 118.68 127.21 8icr s LEU 194 Ca 0.49 0.49 0.09 0.00 0.02 0.00 0.00 54.13 55.21 8icr s LEU 194 Cb -0.18 -2.76 -0.04 0.00 0.02 0.00 0.00 46.19 43.23 8icr s LEU 194 CO 0.14 -0.39 -0.04 -0.22 0.02 0.00 0.00 176.35 175.86 8icr s LEU 195 N 2.47 3.13 0.22 1.79 2.96 0.90 -2.26 118.68 127.89 8icr s LEU 195 Ca 0.24 -0.58 -0.22 0.00 -0.22 0.00 0.00 54.13 53.35 8icr s LEU 195 Cb -0.15 -1.73 0.04 0.00 0.50 0.00 0.00 46.19 44.85 8icr s LEU 195 CO 0.10 0.06 0.65 0.28 -1.32 0.00 0.00 176.35 176.12 8icr s THR 196 N -1.99 0.00 0.03 3.68 -1.32 -0.92 0.96 115.64 116.09 8icr s THR 196 Ca 0.28 -0.55 -0.12 0.00 -1.21 0.00 0.00 61.69 60.09 8icr s THR 196 Cb -0.08 -1.53 0.01 0.00 -1.51 0.00 0.00 72.50 69.39 8icr s THR 196 CO 0.18 -0.01 0.26 -2.28 -2.21 0.00 0.00 174.62 170.56 8icr s HIS 197 N -3.84 -0.06 0.23 9.09 2.46 -1.25 -2.37 115.29 119.55 8icr s HIS 197 Ca 0.07 -0.06 0.15 0.00 0.47 0.00 0.00 55.06 55.68 8icr s HIS 197 Cb -0.03 0.05 0.56 0.00 -0.13 0.00 0.00 32.58 33.03 8icr s HIS 197 CO -0.02 -0.45 1.70 -1.35 -2.47 0.00 0.00 174.74 172.14 8icr h PRO 198 N 3.46 0.00 0.00 2.88 0.10 -1.94 -2.57 132.00 133.93 8icr h PRO 198 Ca -0.31 0.00 0.00 0.00 0.10 0.00 0.00 66.00 65.79 8icr h PRO 198 Cb 1.19 0.00 0.00 0.00 0.10 0.00 0.00 31.00 32.29 8icr h PRO 198 CO 0.45 0.47 0.00 0.45 0.10 0.00 0.00 178.00 179.47 8icr n SER 199 N -3.69 0.00 -3.95 -2.05 2.88 -1.26 -4.68 113.62 100.87 8icr n SER 199 Ca -0.01 0.44 -0.24 0.00 -1.33 0.00 0.00 58.87 57.72 8icr n SER 199 Cb 0.54 -0.47 -0.17 0.00 -0.75 0.00 0.00 64.21 63.36 8icr n SER 199 CO 0.00 0.00 0.00 0.12 -1.23 0.00 0.00 175.04 173.93 8icr s PHE 200 N -2.95 1.31 0.21 0.66 5.36 -0.97 -4.95 117.98 116.65 8icr s PHE 200 Ca 0.11 -0.53 -0.22 0.00 -0.96 0.00 0.00 56.93 55.32 8icr s PHE 200 Cb 0.13 -1.05 0.05 0.00 -0.34 0.00 0.00 43.02 41.81 8icr s PHE 200 CO 0.35 -0.35 0.68 -0.08 -1.46 0.00 0.00 175.22 174.37 8icr s THR 201 N 1.12 0.00 0.00 0.12 -1.32 -1.26 0.26 115.64 114.56 8icr s THR 201 Ca -0.06 -0.48 0.00 0.00 -1.21 0.00 0.00 61.69 59.94 8icr s THR 201 Cb -0.14 -1.49 0.00 0.00 -1.51 0.00 0.00 72.50 69.35 8icr s THR 201 CO -0.01 0.00 0.00 -1.20 -2.21 0.00 0.00 174.62 171.20 8icr n SER 202 N -0.41 0.00 0.00 8.08 7.64 -1.26 -3.33 113.62 124.33 8icr n SER 202 Ca -0.10 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.78 8icr n SER 202 Cb 0.62 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.82 8icr n SER 202 CO 0.00 0.00 0.00 -0.62 -3.01 0.00 0.00 175.04 171.41 8icr n GLU 203 N -2.85 0.00 0.00 1.43 4.71 -1.26 -4.94 120.64 117.73 8icr n GLU 203 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.16 57.15 8icr n GLU 203 Cb 0.00 -0.08 0.00 0.00 -1.01 0.00 0.00 31.44 30.35 8icr n GLU 203 CO 0.00 0.00 0.00 -1.13 0.09 0.00 0.00 177.13 176.09 8icr n SER 204 N -1.25 0.00 0.00 1.62 3.41 -1.21 -4.23 113.62 111.96 8icr n SER 204 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 8icr n SER 204 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 8icr n SER 204 CO 0.00 0.00 0.00 1.07 -0.16 0.00 0.00 175.04 175.95 8icr n THR 205 N 0.00 0.00 -4.62 6.66 5.66 -1.26 -4.64 114.28 116.08 8icr n THR 205 Ca 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.00 8icr n THR 205 Cb 0.00 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 68.78 8icr n THR 205 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 8icr n LYS 206 N 0.00 0.00 0.00 1.09 4.76 -1.26 -4.95 118.16 117.80 8icr n LYS 206 Ca 0.00 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.44 8icr n LYS 206 Cb 0.00 0.00 0.00 0.00 -1.84 0.00 0.00 35.03 33.19 8icr n LYS 206 CO 0.00 0.00 0.00 0.94 -1.37 0.00 0.00 177.40 176.97 8icr n GLN 207 N -1.14 0.00 -0.26 1.97 7.27 -1.26 -4.99 117.38 118.97 8icr n GLN 207 Ca 0.00 0.00 0.25 0.00 0.07 0.00 0.00 57.00 57.32 8icr n GLN 207 Cb 0.00 0.00 0.44 0.00 2.41 0.00 0.00 30.24 33.09 8icr n GLN 207 CO 0.00 0.00 0.00 -0.35 0.07 0.00 0.00 177.06 176.78 8icr n PRO 208 N 0.00 -0.04 0.07 3.69 -0.05 -1.26 0.29 135.00 137.70 8icr n PRO 208 Ca 0.00 0.96 0.19 0.00 -0.05 0.00 0.00 63.50 64.60 8icr n PRO 208 Cb 0.00 -1.77 0.73 0.00 -0.05 0.00 0.00 33.50 32.42 8icr n PRO 208 CO 0.00 0.00 0.00 0.87 -0.05 0.00 0.00 175.50 176.32 8icr h LYS 209 N 0.00 0.00 -0.48 0.54 1.79 -1.96 -0.01 116.57 116.44 8icr h LYS 209 Ca 0.61 0.00 0.09 0.00 -2.18 0.00 0.00 60.65 59.17 8icr h LYS 209 Cb 1.74 0.00 -0.10 0.00 -1.58 0.00 0.00 32.23 32.28 8icr h LYS 209 CO -0.48 0.00 -0.31 -0.07 -1.08 0.00 0.00 179.45 177.51 8icr h LEU 210 N 0.00 -1.05 -0.25 2.94 3.38 0.38 2.17 115.31 122.87 8icr h LEU 210 Ca 0.19 0.20 -0.12 0.00 0.09 0.00 0.00 57.88 58.24 8icr h LEU 210 Cb 0.88 0.52 -0.00 0.00 0.09 0.00 0.00 40.66 42.15 8icr h LEU 210 CO -0.00 -0.30 -0.32 0.25 0.09 0.00 0.00 178.44 178.15 8icr h LEU 211 N -0.20 0.72 -0.05 1.67 6.46 -1.19 -3.34 115.31 119.37 8icr h LEU 211 Ca 0.20 -0.50 0.04 0.00 -0.12 0.00 0.00 57.88 57.50 8icr h LEU 211 Cb 0.53 -0.20 -0.05 0.00 -0.73 0.00 0.00 40.66 40.21 8icr h LEU 211 CO -0.59 1.07 -0.28 0.45 -0.62 0.00 0.00 178.44 178.47 8icr h HIS 212 N 0.38 -0.77 -0.66 1.25 3.86 -0.51 -2.71 115.15 115.99 8icr h HIS 212 Ca 0.03 0.03 0.14 0.00 -1.16 0.00 0.00 60.37 59.41 8icr h HIS 212 Cb 0.90 0.35 -0.10 0.00 1.06 0.00 0.00 27.41 29.62 8icr h HIS 212 CO 0.08 -0.37 0.08 1.96 0.86 0.00 0.00 177.93 180.54 8icr h GLN 213 N -0.40 0.19 0.35 2.45 4.20 0.34 -2.51 115.11 119.72 8icr h GLN 213 Ca 0.08 -0.01 -0.00 0.00 0.06 0.00 0.00 58.65 58.77 8icr h GLN 213 Cb 0.51 -0.04 -0.02 0.00 0.30 0.00 0.00 27.48 28.23 8icr h GLN 213 CO -0.28 0.12 -0.30 -0.24 -0.67 0.00 0.00 178.83 177.46 8icr h VAL 214 N 0.19 0.37 -0.75 -0.54 3.04 -1.62 -1.87 116.25 115.07 8icr h VAL 214 Ca 0.35 0.00 0.07 0.00 -1.01 0.00 0.00 66.70 66.11 8icr h VAL 214 Cb 0.58 0.37 -0.06 0.00 -2.01 0.00 0.00 31.29 30.16 8icr h VAL 214 CO -0.50 0.00 0.43 0.58 -1.01 0.00 0.00 177.57 177.07 8icr h VAL 215 N -0.66 0.97 -0.75 1.51 2.07 -1.25 -0.62 116.25 117.51 8icr h VAL 215 Ca -0.02 -0.26 0.08 0.00 0.82 0.00 0.00 66.70 67.31 8icr h VAL 215 Cb 0.59 0.13 -0.07 0.00 -1.52 0.00 0.00 31.29 30.42 8icr h VAL 215 CO -0.03 0.14 0.41 -0.08 0.02 0.00 0.00 177.57 178.03 8icr h GLU 216 N 0.77 0.69 0.27 1.57 4.81 -1.31 0.14 114.58 121.53 8icr h GLU 216 Ca 0.34 -0.04 -0.01 0.00 -0.13 0.00 0.00 59.36 59.51 8icr h GLU 216 Cb 0.23 -0.16 0.00 0.00 0.63 0.00 0.00 28.75 29.45 8icr h GLU 216 CO -0.20 0.46 -0.13 0.37 -0.73 0.00 0.00 179.01 178.78 8icr h GLN 217 N 0.72 -0.35 -0.34 1.92 5.75 -0.39 0.11 115.11 122.53 8icr h GLN 217 Ca 0.35 0.02 0.10 0.00 -0.15 0.00 0.00 58.65 58.98 8icr h GLN 217 Cb 0.30 0.08 -0.01 0.00 1.07 0.00 0.00 27.48 28.92 8icr h GLN 217 CO -0.23 -0.05 0.26 -0.07 -2.65 0.00 0.00 178.83 176.09 8icr h LEU 218 N -0.65 0.00 0.20 -2.39 4.07 -0.47 0.17 115.31 116.23 8icr h LEU 218 Ca -0.04 0.00 -0.32 0.00 0.08 0.00 0.00 57.88 57.61 8icr h LEU 218 Cb 0.46 0.00 0.02 0.00 1.08 0.00 0.00 40.66 42.22 8icr h LEU 218 CO 0.06 0.00 -1.44 1.56 -1.08 0.00 0.00 178.44 177.54 8icr h GLN 219 N 0.00 0.42 0.06 1.13 4.20 -0.64 0.16 115.11 120.44 8icr h GLN 219 Ca 0.16 -0.72 0.01 0.00 0.06 0.00 0.00 58.65 58.17 8icr h GLN 219 Cb 0.69 0.27 -0.04 0.00 0.30 0.00 0.00 27.48 28.69 8icr h GLN 219 CO -0.00 1.33 -0.42 -0.22 -0.67 0.00 0.00 178.83 178.85 8icr h LYS 220 N 0.11 -0.55 0.00 1.46 3.64 0.20 0.22 116.57 121.65 8icr h LYS 220 Ca -0.23 0.04 0.00 0.00 -1.27 0.00 0.00 60.65 59.19 8icr h LYS 220 Cb 2.09 0.12 0.00 0.00 -0.41 0.00 0.00 32.23 34.04 8icr h LYS 220 CO 0.23 -0.37 0.00 1.33 -2.27 0.00 0.00 179.45 178.38 8icr n VAL 221 N -4.82 0.29 -1.86 2.00 0.24 -0.50 -4.86 118.33 108.82 8icr n VAL 221 Ca -0.06 0.07 0.00 0.00 -2.04 0.00 0.00 64.34 62.31 8icr n VAL 221 Cb 0.32 -0.88 0.00 0.00 -1.47 0.00 0.00 33.84 31.80 8icr n VAL 221 CO 0.00 0.00 0.00 1.41 -2.14 0.00 0.00 176.83 176.10 8icr n HIS 222 N -1.11 0.00 -0.13 6.34 8.25 0.76 -4.97 115.22 124.36 8icr n HIS 222 Ca 0.08 0.00 -0.23 0.00 -0.26 0.00 0.00 57.72 57.31 8icr n HIS 222 Cb 0.06 -0.90 -0.11 0.00 1.12 0.00 0.00 29.99 30.15 8icr n HIS 222 CO 0.00 0.00 0.00 0.34 0.64 0.00 0.00 176.34 177.32 8icr n PHE 223 N -3.55 0.10 -3.07 4.41 7.35 0.48 -4.72 117.46 118.46 8icr n PHE 223 Ca 0.00 0.03 -0.40 0.00 -0.76 0.00 0.00 57.45 56.32 8icr n PHE 223 Cb 0.45 -1.01 -0.05 0.00 0.35 0.00 0.00 39.48 39.22 8icr n PHE 223 CO 0.00 0.00 0.00 0.42 -0.76 0.00 0.00 176.76 176.42 8icr s ILE 224 N -2.51 5.02 -0.33 -2.13 1.01 -0.69 -2.24 121.20 119.32 8icr s ILE 224 Ca -0.36 1.34 0.13 0.00 0.00 0.00 0.00 60.65 61.76 8icr s ILE 224 Cb 0.11 -4.00 -0.17 0.00 0.01 0.00 0.00 42.46 38.41 8icr s ILE 224 CO 0.57 0.16 0.42 0.35 0.00 0.00 0.00 174.94 176.44 8icr n THR 225 N 4.29 0.00 -3.65 2.92 -2.24 0.97 -4.46 114.28 112.11 8icr n THR 225 Ca -0.01 -0.25 -0.10 0.00 -2.27 0.00 0.00 64.05 61.42 8icr n THR 225 Cb 0.50 0.63 -0.04 0.00 -2.10 0.00 0.00 70.33 69.33 8icr n THR 225 CO 0.00 0.00 0.00 -1.81 -0.57 0.00 0.00 175.07 172.69 8icr s ASP 226 N -2.80 -0.30 -0.15 3.42 1.11 -0.86 -4.96 116.67 112.13 8icr s ASP 226 Ca 0.00 -0.34 0.00 0.00 0.18 0.00 0.00 52.55 52.40 8icr s ASP 226 Cb 0.09 0.55 0.02 0.00 1.07 0.00 0.00 42.92 44.65 8icr s ASP 226 CO 0.53 -0.97 -0.14 -0.89 1.18 0.00 0.00 175.17 174.88 8icr s THR 227 N -3.83 1.62 -0.13 -1.27 2.01 -1.26 -1.07 115.64 111.71 8icr s THR 227 Ca 0.06 -0.68 -0.18 0.00 0.31 0.00 0.00 61.69 61.20 8icr s THR 227 Cb 0.00 -1.52 -0.26 0.00 0.01 0.00 0.00 72.50 70.73 8icr s THR 227 CO -0.08 0.45 0.52 -0.07 -0.69 0.00 0.00 174.62 174.75 8icr h LEU 228 N 8.04 0.27 -7.03 4.42 4.07 0.13 -3.47 115.31 121.73 8icr h LEU 228 Ca -0.39 -0.81 0.01 0.00 0.08 0.00 0.00 57.88 56.77 8icr h LEU 228 Cb 1.13 -0.09 -0.22 0.00 1.08 0.00 0.00 40.66 42.57 8icr h LEU 228 CO 0.54 1.53 -0.04 -0.94 -1.08 0.00 0.00 178.44 178.45 8icr s SER 229 N -6.91 -0.90 -0.15 -0.43 1.04 -0.20 -4.80 113.70 101.35 8icr s SER 229 Ca -0.21 1.44 -0.00 0.00 0.48 0.00 0.00 55.95 57.65 8icr s SER 229 Cb 0.04 1.38 0.04 0.00 0.10 0.00 0.00 66.02 67.57 8icr s SER 229 CO 0.73 -0.23 -0.07 -0.75 0.98 0.00 0.00 173.24 173.90 8icr s LYS 230 N 1.72 1.56 0.23 4.02 2.20 -1.26 0.97 119.74 129.17 8icr s LYS 230 Ca -0.10 -0.47 0.01 0.00 -0.36 0.00 0.00 55.97 55.06 8icr s LYS 230 Cb -0.06 -1.93 -0.00 0.00 -1.51 0.00 0.00 37.83 34.33 8icr s LYS 230 CO -0.19 -0.37 0.05 0.41 -0.36 0.00 0.00 175.35 174.88 8icr n GLY 231 N 4.87 3.74 0.00 5.54 0.00 -0.84 -5.02 105.19 113.49 8icr n GLY 231 Ca -0.13 -2.12 0.07 0.00 0.00 0.00 0.00 46.02 43.84 8icr n GLY 231 CO 0.00 0.00 0.00 -1.84 0.00 0.00 0.00 173.32 171.48 8icr n GLU 232 N -0.54 0.43 0.00 1.61 0.28 -1.26 -3.92 120.64 117.24 8icr n GLU 232 Ca -0.06 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 56.94 8icr n GLU 232 Cb 0.32 -1.48 0.00 0.00 1.43 0.00 0.00 31.44 31.71 8icr n GLU 232 CO 0.00 0.00 0.00 0.25 -0.16 0.00 0.00 177.13 177.22 8icr n THR 233 N -0.98 0.00 -3.59 3.84 -2.24 -1.26 -4.76 114.28 105.29 8icr n THR 233 Ca 0.10 0.00 -0.18 0.00 -2.27 0.00 0.00 64.05 61.70 8icr n THR 233 Cb 0.05 0.41 -0.14 0.00 -2.10 0.00 0.00 70.33 68.54 8icr n THR 233 CO 0.00 0.00 0.00 -0.75 -0.57 0.00 0.00 175.07 173.75 8icr s LYS 234 N 0.00 0.11 -0.02 -0.78 2.20 -1.25 -0.12 119.74 119.88 8icr s LYS 234 Ca 0.00 0.39 -0.02 0.00 -0.36 0.00 0.00 55.97 55.97 8icr s LYS 234 Cb 0.00 -0.76 -0.04 0.00 -1.51 0.00 0.00 37.83 35.52 8icr s LYS 234 CO 0.00 -0.48 0.14 0.12 -0.36 0.00 0.00 175.35 174.77 8icr s PHE 235 N 2.31 3.45 -0.30 4.03 5.36 0.17 -1.98 117.98 131.03 8icr s PHE 235 Ca 0.04 0.31 -0.03 0.00 -0.96 0.00 0.00 56.93 56.30 8icr s PHE 235 Cb -0.14 -1.80 0.11 0.00 -0.34 0.00 0.00 43.02 40.85 8icr s PHE 235 CO -0.09 0.62 0.17 1.41 -1.46 0.00 0.00 175.22 175.87 8icr s MET 236 N -1.78 0.25 0.00 10.12 1.75 0.27 -2.70 119.30 127.21 8icr s MET 236 Ca 0.25 -0.56 0.00 0.00 -1.25 0.00 0.00 55.69 54.13 8icr s MET 236 Cb -0.12 -1.09 0.00 0.00 2.84 0.00 0.00 34.83 36.46 8icr s MET 236 CO 0.16 -1.04 0.00 0.41 -0.65 0.00 0.00 175.02 173.89 8icr n GLY 237 N 5.12 5.33 2.96 2.11 0.00 -0.06 0.83 105.19 121.49 8icr n GLY 237 Ca -0.03 -1.50 -0.19 0.00 0.00 0.00 0.00 46.02 44.30 8icr n GLY 237 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 8icr s VAL 238 N 1.40 0.61 0.30 1.61 1.01 -0.23 -1.73 120.40 123.37 8icr s VAL 238 Ca 0.00 -0.26 0.02 0.00 0.00 0.00 0.00 61.98 61.74 8icr s VAL 238 Cb 0.00 -0.56 -0.05 0.00 0.00 0.00 0.00 36.38 35.76 8icr s VAL 238 CO 0.00 0.20 0.09 0.00 0.00 0.00 0.00 175.10 175.40 8icr s GLN 240 N -3.93 0.48 0.18 0.00 0.74 -0.95 0.03 119.66 116.21 8icr s GLN 240 Ca 0.36 0.74 -0.28 0.00 0.05 0.00 0.00 55.36 56.23 8icr s GLN 240 Cb 0.07 0.15 -0.08 0.00 1.10 0.00 0.00 33.01 34.25 8icr s GLN 240 CO 0.15 -0.09 0.86 -0.51 -0.55 0.00 0.00 175.29 175.15 8icr s LEU 241 N 1.02 4.60 -0.40 3.68 1.43 -1.26 -4.67 118.68 123.07 8icr s LEU 241 Ca -0.05 1.76 -0.39 0.00 -1.03 0.00 0.00 54.13 54.42 8icr s LEU 241 Cb -0.04 -3.44 -0.15 0.00 0.03 0.00 0.00 46.19 42.59 8icr s LEU 241 CO -0.13 0.15 2.11 -2.65 0.23 0.00 0.00 176.35 176.06 8icr n PRO 242 N 1.76 0.66 -1.89 1.29 -0.02 -1.26 -3.59 135.00 131.95 8icr n PRO 242 Ca -0.03 0.19 -0.42 0.00 -2.02 0.00 0.00 63.50 61.22 8icr n PRO 242 Cb 0.48 -2.04 -0.03 0.00 -0.02 0.00 0.00 33.50 31.89 8icr n PRO 242 CO 0.00 0.00 0.00 -1.12 1.98 0.00 0.00 175.50 176.36 8icr s SER 243 N 6.33 5.63 0.00 2.55 0.01 -1.26 -4.81 113.70 122.15 8icr s SER 243 Ca 1.12 1.32 0.00 0.00 1.31 0.00 0.00 55.95 59.71 8icr s SER 243 Cb -1.14 -2.52 0.00 0.00 0.21 0.00 0.00 66.02 62.57 8icr s SER 243 CO 0.58 -1.91 0.00 0.29 0.41 0.00 0.00 173.24 172.61 8icr n LYS 244 N 8.62 2.27 -1.60 12.44 4.76 -1.23 -4.33 118.16 139.08 8icr n LYS 244 Ca 0.25 0.00 -0.32 0.00 -2.87 0.00 0.00 58.31 55.38 8icr n LYS 244 Cb 0.47 0.00 -0.01 0.00 -1.84 0.00 0.00 35.03 33.66 8icr n LYS 244 CO 0.00 0.00 0.00 0.27 -1.37 0.00 0.00 177.40 176.30 8icr n ASN 245 N 0.00 6.93 -1.02 4.39 2.04 -1.26 -4.93 115.26 121.41 8icr n ASN 245 Ca 0.00 -3.46 0.10 0.00 -0.44 0.00 0.00 54.58 50.78 8icr n ASN 245 Cb 0.00 -1.15 -0.04 0.00 -2.53 0.00 0.00 39.78 36.06 8icr n ASN 245 CO 0.00 0.00 0.00 0.47 -0.44 0.00 0.00 177.26 177.29 8icr n ASP 246 N 0.22 -4.66 0.00 0.53 9.92 -1.26 -4.94 116.55 116.36 8icr n ASP 246 Ca 0.50 0.58 0.00 0.00 -0.53 0.00 0.00 54.79 55.34 8icr n ASP 246 Cb 0.44 -3.25 0.00 0.00 -0.64 0.00 0.00 41.12 37.67 8icr n ASP 246 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 8icr n GLU 247 N -3.29 0.00 -3.79 -1.24 -0.58 -1.26 -4.99 120.64 105.49 8icr n GLU 247 Ca -0.02 0.00 -0.36 0.00 -0.42 0.00 0.00 57.16 56.35 8icr n GLU 247 Cb 0.58 0.00 -0.12 0.00 -0.57 0.00 0.00 31.44 31.33 8icr n GLU 247 CO 0.00 0.00 0.00 -1.59 -0.48 0.00 0.00 177.13 175.06 8icr s LYS 248 N 0.00 2.14 -0.00 3.49 0.00 -1.26 -5.09 119.74 119.01 8icr s LYS 248 Ca 0.00 -1.67 -0.08 0.00 0.00 0.00 0.00 55.97 54.23 8icr s LYS 248 Cb 0.00 -3.51 -0.05 0.00 0.00 0.00 0.00 37.83 34.27 8icr s LYS 248 CO 0.00 -0.96 0.28 -2.00 0.00 0.00 0.00 175.35 172.67 8icr s GLU 249 N 1.19 3.61 0.44 1.78 2.12 -1.26 -3.51 118.70 123.07 8icr s GLU 249 Ca 0.05 -0.01 -0.05 0.00 0.36 0.00 0.00 54.97 55.31 8icr s GLU 249 Cb -0.22 -3.10 -0.04 0.00 0.26 0.00 0.00 34.13 31.03 8icr s GLU 249 CO -0.03 0.66 0.74 0.71 -0.54 0.00 0.00 175.26 176.80 8icr s TYR 250 N -1.25 3.54 0.68 5.30 2.02 -1.24 -4.96 117.35 121.44 8icr s TYR 250 Ca 0.26 0.78 -0.12 0.00 -0.37 0.00 0.00 57.07 57.62 8icr s TYR 250 Cb -0.13 -2.26 -0.00 0.00 -0.40 0.00 0.00 41.96 39.17 8icr s TYR 250 CO 0.14 -0.18 1.06 -2.14 -1.57 0.00 0.00 175.55 172.87 8icr s PRO 251 N -4.48 3.00 -0.15 -1.71 0.02 -1.26 -4.81 135.00 125.60 8icr s PRO 251 Ca 0.47 1.00 -0.29 0.00 0.02 0.00 0.00 61.00 62.21 8icr s PRO 251 Cb -0.10 -2.00 -0.01 0.00 0.02 0.00 0.00 34.50 32.41 8icr s PRO 251 CO 0.41 -1.05 0.99 -1.01 -0.33 0.00 0.00 177.00 176.01 8icr s HIS 252 N -2.93 3.44 0.21 6.54 3.76 -1.26 -4.52 115.29 120.53 8icr s HIS 252 Ca 0.59 1.50 0.10 0.00 -0.15 0.00 0.00 55.06 57.10 8icr s HIS 252 Cb -0.14 -3.18 -0.04 0.00 1.11 0.00 0.00 32.58 30.32 8icr s HIS 252 CO 0.51 -0.31 -0.15 1.03 -0.85 0.00 0.00 174.74 174.98 8icr s ARG 253 N 2.41 1.85 -0.11 1.40 3.00 0.10 -4.29 118.95 123.31 8icr s ARG 253 Ca 0.45 -1.45 -0.28 0.00 0.00 0.00 0.00 55.73 54.46 8icr s ARG 253 Cb -0.17 -2.00 -0.02 0.00 0.00 0.00 0.00 34.95 32.77 8icr s ARG 253 CO 0.13 0.40 0.91 1.03 0.00 0.00 0.00 175.30 177.78 8icr s ARG 254 N -2.97 4.40 0.06 3.54 1.81 -1.26 -0.59 118.95 123.94 8icr s ARG 254 Ca 0.25 1.22 0.07 0.00 -1.72 0.00 0.00 55.73 55.55 8icr s ARG 254 Cb -0.08 -3.53 -0.03 0.00 -0.45 0.00 0.00 34.95 30.86 8icr s ARG 254 CO 0.14 -0.24 -0.20 -1.50 -0.68 0.00 0.00 175.30 172.82 8icr s ILE 255 N 1.80 1.60 -0.06 1.52 2.07 -0.71 -0.75 121.20 126.66 8icr s ILE 255 Ca 0.44 -1.29 -0.01 0.00 -1.41 0.00 0.00 60.65 58.38 8icr s ILE 255 Cb -0.18 -1.42 0.03 0.00 0.13 0.00 0.00 42.46 41.02 8icr s ILE 255 CO 0.17 0.08 0.02 -1.81 -1.91 0.00 0.00 174.94 171.49 8icr s ASP 256 N -1.43 1.46 -0.08 4.50 1.11 -0.56 -0.88 116.67 120.79 8icr s ASP 256 Ca 0.06 -0.04 0.04 0.00 0.18 0.00 0.00 52.55 52.79 8icr s ASP 256 Cb -0.09 -0.36 0.00 0.00 1.07 0.00 0.00 42.92 43.54 8icr s ASP 256 CO 0.03 -0.21 -0.20 -0.63 1.18 0.00 0.00 175.17 175.34 8icr s ILE 257 N 2.01 1.71 -0.03 0.77 1.01 -1.10 -1.24 121.20 124.34 8icr s ILE 257 Ca 0.05 -0.83 0.02 0.00 0.00 0.00 0.00 60.65 59.88 8icr s ILE 257 Cb -0.12 -1.49 0.01 0.00 0.01 0.00 0.00 42.46 40.87 8icr s ILE 257 CO -0.05 0.48 -0.06 0.00 0.00 0.00 0.00 174.94 175.32 8icr s ARG 258 N 0.34 0.74 0.17 2.79 1.70 -1.10 -0.65 118.95 122.94 8icr s ARG 258 Ca -0.14 -0.18 -0.28 0.00 -0.47 0.00 0.00 55.73 54.65 8icr s ARG 258 Cb -0.16 -0.72 -0.08 0.00 -0.57 0.00 0.00 34.95 33.42 8icr s ARG 258 CO 0.06 0.03 0.89 -1.17 -1.08 0.00 0.00 175.30 174.04 8icr s LEU 259 N 0.41 4.58 -0.02 -1.89 2.96 0.83 -0.07 118.68 125.47 8icr s LEU 259 Ca -0.05 1.79 0.02 0.00 -0.22 0.00 0.00 54.13 55.67 8icr s LEU 259 Cb -0.09 -3.50 0.00 0.00 0.50 0.00 0.00 46.19 43.10 8icr s LEU 259 CO 0.00 0.09 -0.07 -0.63 -1.32 0.00 0.00 176.35 174.42 8icr s ILE 260 N -0.73 0.62 -0.21 6.68 -1.09 0.27 -4.89 121.20 121.85 8icr s ILE 260 Ca 0.41 -0.30 -0.28 0.00 -2.23 0.00 0.00 60.65 58.25 8icr s ILE 260 Cb -0.24 -0.54 -0.05 0.00 -1.58 0.00 0.00 42.46 40.04 8icr s ILE 260 CO 0.29 0.19 2.21 -2.65 -1.23 0.00 0.00 174.94 173.76 8icr n PRO 261 N 3.14 1.99 -0.66 2.79 -0.02 -1.26 -3.91 135.00 137.08 8icr n PRO 261 Ca -0.16 0.55 0.50 0.00 -2.02 0.00 0.00 63.50 62.37 8icr n PRO 261 Cb 0.56 -3.21 0.77 0.00 -0.02 0.00 0.00 33.50 31.60 8icr n PRO 261 CO 0.00 0.00 0.00 1.17 1.98 0.00 0.00 175.50 178.65 8icr n LYS 262 N 8.68 -0.00 0.00 -0.52 3.00 0.74 0.37 118.16 130.43 8icr n LYS 262 Ca 0.30 1.06 0.00 0.00 -0.00 0.00 0.00 58.31 59.67 8icr n LYS 262 Cb 0.44 -2.40 0.00 0.00 0.00 0.00 0.00 35.03 33.07 8icr n LYS 262 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 8icr n ASP 263 N -3.95 0.52 0.00 3.14 5.75 -1.26 -3.05 116.55 117.70 8icr n ASP 263 Ca 0.42 -1.72 0.00 0.00 -0.01 0.00 0.00 54.79 53.48 8icr n ASP 263 Cb 1.89 -0.26 0.00 0.00 -1.03 0.00 0.00 41.12 41.72 8icr n ASP 263 CO 0.00 0.00 0.00 0.00 -0.11 0.00 0.00 177.20 177.09 8icr n GLN 264 N -0.16 0.00 0.00 0.11 10.64 0.16 -4.88 117.38 123.25 8icr n GLN 264 Ca 0.00 -0.21 0.00 0.00 -1.83 0.00 0.00 57.00 54.96 8icr n GLN 264 Cb 0.13 -0.35 0.00 0.00 -0.86 0.00 0.00 30.24 29.16 8icr n GLN 264 CO 0.00 0.00 0.00 0.98 -1.83 0.00 0.00 177.06 176.21 8icr n TYR 265 N 0.00 0.00 -0.33 2.61 9.36 -1.17 -1.48 117.16 126.15 8icr n TYR 265 Ca 0.00 0.00 0.14 0.00 3.32 0.00 0.00 57.90 61.36 8icr n TYR 265 Cb 0.40 -0.24 0.34 0.00 -0.63 0.00 0.00 39.34 39.20 8icr n TYR 265 CO 0.00 0.00 0.00 1.88 0.22 0.00 0.00 176.86 178.96 8icr h TYR 266 N 0.00 0.91 -0.44 2.98 0.05 -1.89 0.68 116.97 119.25 8icr h TYR 266 Ca 0.00 0.04 0.04 0.00 0.05 0.00 0.00 58.73 58.85 8icr h TYR 266 Cb 0.00 -0.25 -0.04 0.00 1.01 0.00 0.00 36.73 37.45 8icr h TYR 266 CO -0.34 0.08 0.22 0.00 -1.05 0.00 0.00 178.16 177.07 8icr h GLY 268 N 0.44 -0.72 0.25 0.00 0.00 0.20 0.95 103.07 104.18 8icr h GLY 268 Ca 0.19 0.27 0.14 0.00 0.00 0.00 0.00 47.33 47.93 8icr h GLY 268 CO -0.14 -0.26 0.43 -2.08 0.00 0.00 0.00 176.54 174.49 8icr h VAL 269 N -0.81 0.74 0.62 4.60 2.07 0.69 0.18 116.25 124.34 8icr h VAL 269 Ca -0.07 -0.22 -0.02 0.00 0.82 0.00 0.00 66.70 67.21 8icr h VAL 269 Cb 0.58 0.06 -0.01 0.00 -1.52 0.00 0.00 31.29 30.39 8icr h VAL 269 CO 0.12 0.11 -0.48 0.25 0.02 0.00 0.00 177.57 177.59 8icr h LEU 270 N 0.63 -1.27 -0.20 2.57 5.85 0.48 -2.53 115.31 120.83 8icr h LEU 270 Ca 0.45 0.09 0.03 0.00 0.84 0.00 0.00 57.88 59.29 8icr h LEU 270 Cb 0.63 0.40 -0.05 0.00 0.37 0.00 0.00 40.66 42.01 8icr h LEU 270 CO -0.35 -0.69 -0.32 0.22 -0.34 0.00 0.00 178.44 176.96 8icr h TYR 271 N -1.07 -0.98 0.00 1.25 3.20 0.64 -2.40 116.97 117.61 8icr h TYR 271 Ca -0.08 0.05 -0.00 0.00 3.14 0.00 0.00 58.73 61.84 8icr h TYR 271 Cb 0.89 0.45 -0.00 0.00 1.54 0.00 0.00 36.73 39.62 8icr h TYR 271 CO -0.18 -0.29 -0.00 0.74 -1.64 0.00 0.00 178.16 176.79 8icr h PHE 272 N -0.25 0.00 0.00 -3.82 -1.00 -0.76 -0.57 116.94 110.54 8icr h PHE 272 Ca 0.04 0.00 0.00 0.00 2.81 0.00 0.00 57.97 60.82 8icr h PHE 272 Cb 0.35 0.00 0.00 0.00 3.61 0.00 0.00 35.95 39.91 8icr h PHE 272 CO -0.64 0.00 0.00 2.41 -1.61 0.00 0.00 178.31 178.47 8icr n THR 273 N -3.22 0.64 -2.08 -1.55 -1.04 -0.91 -2.50 114.28 103.62 8icr n THR 273 Ca -0.03 0.05 0.00 0.00 -2.04 0.00 0.00 64.05 62.03 8icr n THR 273 Cb 0.08 -0.84 0.00 0.00 -1.82 0.00 0.00 70.33 67.75 8icr n THR 273 CO 0.00 0.00 0.00 0.61 -0.64 0.00 0.00 175.07 175.04 8icr n GLY 274 N 0.65 0.85 3.91 3.41 0.00 -0.22 -4.59 105.19 109.19 8icr n GLY 274 Ca 0.04 -0.68 -0.29 0.00 0.00 0.00 0.00 46.02 45.09 8icr n GLY 274 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 8icr s SER 275 N -4.00 4.29 0.35 1.61 1.04 -0.95 -4.64 113.70 111.40 8icr s SER 275 Ca 0.00 0.68 0.15 0.00 0.48 0.00 0.00 55.95 57.26 8icr s SER 275 Cb 0.00 -1.11 1.09 0.00 0.10 0.00 0.00 66.02 66.10 8icr s SER 275 CO 0.00 -2.03 1.67 0.44 0.98 0.00 0.00 173.24 174.31 8icr h ASP 276 N -1.13 0.52 0.17 7.02 3.32 -1.91 0.22 116.42 124.63 8icr h ASP 276 Ca -0.46 0.18 -0.01 0.00 0.02 0.00 0.00 57.03 56.76 8icr h ASP 276 Cb 1.31 0.12 0.00 0.00 0.22 0.00 0.00 39.33 40.98 8icr h ASP 276 CO 0.61 -0.10 -0.08 0.16 -1.72 0.00 0.00 179.24 178.11 8icr h ILE 277 N 0.35 0.82 -0.68 0.35 -2.65 -1.90 -2.49 117.51 111.30 8icr h ILE 277 Ca 0.72 -1.08 0.13 0.00 1.03 0.00 0.00 64.86 65.66 8icr h ILE 277 Cb 1.67 1.37 -0.09 0.00 -2.05 0.00 0.00 36.82 37.71 8icr h ILE 277 CO -0.56 0.21 0.19 0.15 0.03 0.00 0.00 178.15 178.17 8icr h PHE 278 N -0.85 0.31 0.17 0.16 3.57 -1.28 0.60 116.94 119.62 8icr h PHE 278 Ca -0.02 0.04 0.00 0.00 3.53 0.00 0.00 57.97 61.52 8icr h PHE 278 Cb 0.52 -0.03 -0.03 0.00 2.79 0.00 0.00 35.95 39.19 8icr h PHE 278 CO 0.08 -0.02 -0.43 -0.91 -2.23 0.00 0.00 178.31 174.80 8icr h ASN 279 N 0.32 -1.28 0.00 0.41 -0.26 -0.68 1.86 115.58 115.95 8icr h ASN 279 Ca 0.37 0.13 0.03 0.00 -0.56 0.00 0.00 56.30 56.27 8icr h ASN 279 Cb 0.58 0.46 -0.06 0.00 -1.06 0.00 0.00 38.32 38.24 8icr h ASN 279 CO -0.43 -0.48 -0.46 0.11 -1.06 0.00 0.00 177.43 175.10 8icr h LYS 280 N -0.67 -0.59 -0.90 0.81 1.57 -0.71 1.53 116.57 117.61 8icr h LYS 280 Ca -0.02 0.04 0.13 0.00 -1.87 0.00 0.00 60.65 58.93 8icr h LYS 280 Cb 0.65 0.13 -0.09 0.00 0.08 0.00 0.00 32.23 33.01 8icr h LYS 280 CO -0.19 -0.39 0.51 -0.91 -0.57 0.00 0.00 179.45 177.90 8icr h ASN 281 N -0.61 0.70 -0.06 0.86 4.21 0.55 2.38 115.58 123.61 8icr h ASN 281 Ca 0.04 0.07 -0.01 0.00 1.21 0.00 0.00 56.30 57.60 8icr h ASN 281 Cb 0.68 -0.06 -0.00 0.00 -1.12 0.00 0.00 38.32 37.82 8icr h ASN 281 CO -0.33 0.34 -0.01 -0.03 -1.29 0.00 0.00 177.43 176.11 8icr h MET 282 N 0.78 0.11 -0.79 0.81 4.05 0.44 -1.85 114.93 118.46 8icr h MET 282 Ca 0.47 -0.04 0.08 0.00 -0.28 0.00 0.00 59.70 59.93 8icr h MET 282 Cb 0.56 -0.01 -0.05 0.00 -0.80 0.00 0.00 31.60 31.30 8icr h MET 282 CO -0.31 0.41 0.52 0.00 0.23 0.00 0.00 176.91 177.76 8icr h ARG 283 N -0.21 0.75 -0.32 0.39 3.08 0.49 -0.08 114.38 118.47 8icr h ARG 283 Ca 0.02 -0.05 -0.09 0.00 0.07 0.00 0.00 59.98 59.93 8icr h ARG 283 Cb 0.37 -0.17 -0.02 0.00 0.08 0.00 0.00 29.97 30.24 8icr h ARG 283 CO 0.00 0.50 -0.18 0.00 -1.07 0.00 0.00 179.97 179.22 8icr h ALA 284 N 1.59 1.11 -0.20 0.04 0.00 0.42 -3.26 119.26 118.96 8icr h ALA 284 Ca 0.36 -0.32 -0.06 0.00 0.00 0.00 0.00 54.91 54.89 8icr h ALA 284 Cb 0.37 -0.14 -0.00 0.00 0.00 0.00 0.00 17.79 18.02 8icr h ALA 284 CO -0.13 0.55 -0.12 1.25 0.00 0.00 0.00 179.25 180.80 8icr h HIS 285 N 0.52 0.50 -0.45 0.00 -0.00 -0.18 -3.09 115.15 112.46 8icr h HIS 285 Ca 0.09 -0.13 0.13 0.00 -0.00 0.00 0.00 60.37 60.45 8icr h HIS 285 Cb 0.60 -0.11 -0.02 0.00 -0.00 0.00 0.00 27.41 27.88 8icr h HIS 285 CO 0.02 0.74 0.50 0.00 -0.00 0.00 0.00 177.93 179.19 8icr h ALA 286 N 0.68 2.16 -0.28 5.26 0.00 -1.49 -0.25 119.26 125.34 8icr h ALA 286 Ca 0.04 -0.02 -0.02 0.00 0.00 0.00 0.00 54.91 54.91 8icr h ALA 286 Cb 0.62 0.03 -0.01 0.00 0.00 0.00 0.00 17.79 18.43 8icr h ALA 286 CO 0.03 -0.73 0.09 1.25 0.00 0.00 0.00 179.25 179.89 8icr h LEU 287 N 0.00 0.40 0.08 0.00 7.12 -1.61 4.17 115.31 125.47 8icr h LEU 287 Ca 0.21 -0.21 -0.00 0.00 0.13 0.00 0.00 57.88 58.01 8icr h LEU 287 Cb 1.20 -0.11 0.00 0.00 -0.53 0.00 0.00 40.66 41.23 8icr h LEU 287 CO -0.00 0.50 -0.04 -0.33 -0.13 0.00 0.00 178.44 178.44 8icr h GLU 288 N 0.28 -0.10 0.00 1.25 4.39 -1.32 -3.17 114.58 115.91 8icr h GLU 288 Ca 0.09 0.01 0.00 0.00 0.34 0.00 0.00 59.36 59.80 8icr h GLU 288 Cb 0.24 0.02 0.00 0.00 -0.10 0.00 0.00 28.75 28.92 8icr h GLU 288 CO -0.00 0.44 0.00 1.63 -1.16 0.00 0.00 179.01 179.92 8icr n LYS 289 N -4.81 0.00 -1.92 2.33 4.76 -0.23 -4.64 118.16 113.66 8icr n LYS 289 Ca -0.07 0.00 0.00 0.00 -2.87 0.00 0.00 58.31 55.37 8icr n LYS 289 Cb 0.29 -1.33 0.00 0.00 -1.84 0.00 0.00 35.03 32.16 8icr n LYS 289 CO 0.00 0.00 0.00 0.41 -1.37 0.00 0.00 177.40 176.44 8icr n GLY 290 N -0.63 0.92 0.00 0.72 0.00 -0.98 -4.96 105.19 100.27 8icr n GLY 290 Ca 0.00 -0.57 0.00 0.00 0.00 0.00 0.00 46.02 45.45 8icr n GLY 290 CO 0.00 0.00 0.00 0.69 0.00 0.00 0.00 173.32 174.01 8icr n PHE 291 N -2.22 -0.00 -3.64 1.61 3.72 1.37 -0.07 117.46 118.23 8icr n PHE 291 Ca 0.00 0.00 -0.08 0.00 -0.05 0.00 0.00 57.45 57.32 8icr n PHE 291 Cb 0.40 0.00 -0.07 0.00 -0.94 0.00 0.00 39.48 38.87 8icr n PHE 291 CO 0.00 0.00 0.00 -0.08 -0.05 0.00 0.00 176.76 176.63 8icr s THR 292 N -1.43 0.00 -0.06 4.37 -1.32 -0.64 -3.70 115.64 112.85 8icr s THR 292 Ca 0.00 0.00 0.03 0.00 -1.21 0.00 0.00 61.69 60.51 8icr s THR 292 Cb 0.00 -1.00 0.01 0.00 -1.51 0.00 0.00 72.50 70.00 8icr s THR 292 CO 0.00 0.00 -0.15 -0.63 -2.21 0.00 0.00 174.62 171.63 8icr s ILE 293 N 1.17 1.35 0.16 5.08 -1.09 -1.26 -0.72 121.20 125.89 8icr s ILE 293 Ca -0.06 -0.63 -0.01 0.00 -2.23 0.00 0.00 60.65 57.72 8icr s ILE 293 Cb -0.05 -1.19 -0.04 0.00 -1.58 0.00 0.00 42.46 39.60 8icr s ILE 293 CO -0.13 0.40 0.09 0.54 -1.23 0.00 0.00 174.94 174.61 8icr s ASN 294 N 0.39 0.24 0.01 3.58 6.03 -1.14 -4.98 114.94 119.07 8icr s ASN 294 Ca -0.11 -1.30 0.00 0.00 -1.03 0.00 0.00 52.86 50.42 8icr s ASN 294 Cb -0.14 0.33 0.01 0.00 -3.03 0.00 0.00 41.25 38.42 8icr s ASN 294 CO 0.04 -0.78 0.60 -1.84 -2.03 0.00 0.00 177.10 173.09 8icr n GLU 295 N -0.18 0.00 0.00 3.55 0.00 -1.26 -2.73 120.64 120.02 8icr n GLU 295 Ca -0.02 0.10 0.00 0.00 0.00 0.00 0.00 57.16 57.24 8icr n GLU 295 Cb 0.65 -1.93 0.00 0.00 0.00 0.00 0.00 31.44 30.16 8icr n GLU 295 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 177.13 177.79 8icr n TYR 296 N -1.12 0.00 -3.59 -1.84 4.01 -1.26 -2.44 117.16 110.92 8icr n TYR 296 Ca -0.00 0.00 -0.06 0.00 -0.16 0.00 0.00 57.90 57.68 8icr n TYR 296 Cb 0.43 0.01 0.02 0.00 -0.31 0.00 0.00 39.34 39.48 8icr n TYR 296 CO 0.00 0.00 0.00 0.25 -0.46 0.00 0.00 176.86 176.65 8icr n THR 297 N 0.00 0.00 -3.37 -0.72 -2.24 -1.11 -4.67 114.28 102.17 8icr n THR 297 Ca 0.00 -0.72 -0.12 0.00 -2.27 0.00 0.00 64.05 60.94 8icr n THR 297 Cb 0.24 0.73 -0.08 0.00 -2.10 0.00 0.00 70.33 69.11 8icr n THR 297 CO 0.00 0.00 0.00 -0.51 -0.57 0.00 0.00 175.07 173.99 8icr s ILE 298 N -2.33 -0.53 -0.18 2.28 2.07 -1.25 -2.91 121.20 118.35 8icr s ILE 298 Ca 0.12 -0.23 -0.09 0.00 -1.41 0.00 0.00 60.65 59.03 8icr s ILE 298 Cb -0.04 -0.88 -0.05 0.00 0.13 0.00 0.00 42.46 41.63 8icr s ILE 298 CO 0.09 -0.26 0.13 -0.13 -1.91 0.00 0.00 174.94 172.86 8icr s ARG 299 N 2.47 4.00 0.13 3.50 0.52 0.10 -2.12 118.95 127.56 8icr s ARG 299 Ca 0.10 -0.20 -0.31 0.00 -0.52 0.00 0.00 55.73 54.80 8icr s ARG 299 Cb -0.14 -3.35 -0.09 0.00 0.52 0.00 0.00 34.95 31.88 8icr s ARG 299 CO -0.23 0.41 1.51 -1.25 0.02 0.00 0.00 175.30 175.77 8icr s PRO 300 N 0.03 4.25 0.44 3.54 0.04 -1.26 -1.63 135.00 140.41 8icr s PRO 300 Ca 0.09 2.25 -0.21 0.00 0.04 0.00 0.00 61.00 63.18 8icr s PRO 300 Cb -0.11 -3.26 -0.11 0.00 0.04 0.00 0.00 34.50 31.06 8icr s PRO 300 CO -0.00 -0.57 0.96 -1.17 0.04 0.00 0.00 177.00 176.26 8icr s LEU 301 N 1.36 3.92 0.17 -3.56 2.96 0.90 -4.11 118.68 120.32 8icr s LEU 301 Ca 0.68 1.70 0.10 0.00 -0.22 0.00 0.00 54.13 56.40 8icr s LEU 301 Cb -0.41 -4.54 -0.04 0.00 0.50 0.00 0.00 46.19 41.70 8icr s LEU 301 CO 0.31 -0.40 -0.20 -0.83 -1.32 0.00 0.00 176.35 173.91 8icr s GLY 302 N -2.21 1.70 0.49 7.98 0.00 -1.26 -4.91 107.32 109.10 8icr s GLY 302 Ca 0.62 -1.54 0.21 0.00 0.00 0.00 0.00 44.72 44.01 8icr s GLY 302 CO 0.14 -1.55 2.04 -0.24 0.00 0.00 0.00 173.10 173.50 8icr h VAL 303 N 3.22 0.87 0.00 1.40 3.04 -1.98 -3.20 116.25 119.60 8icr h VAL 303 Ca -0.48 -0.56 0.00 0.00 -1.01 0.00 0.00 66.70 64.66 8icr h VAL 303 Cb 1.20 1.32 0.00 0.00 -2.01 0.00 0.00 31.29 31.80 8icr h VAL 303 CO 0.48 0.15 0.04 0.35 -1.01 0.00 0.00 177.57 177.57 8icr n THR 304 N -4.02 0.68 0.00 3.17 -2.24 -1.26 -4.66 114.28 105.96 8icr n THR 304 Ca -0.02 0.21 0.00 0.00 -2.27 0.00 0.00 64.05 61.97 8icr n THR 304 Cb 0.23 -1.21 0.00 0.00 -2.10 0.00 0.00 70.33 67.26 8icr n THR 304 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 8icr n GLY 305 N -1.12 3.71 3.35 3.38 0.00 -1.21 -5.03 105.19 108.27 8icr n GLY 305 Ca 0.00 -0.81 -0.13 0.00 0.00 0.00 0.00 46.02 45.08 8icr n GLY 305 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 8icr s VAL 306 N 0.00 0.00 0.09 1.61 -7.23 -1.24 -4.82 120.40 108.81 8icr s VAL 306 Ca 0.00 -1.80 -0.26 0.00 -1.81 0.00 0.00 61.98 58.11 8icr s VAL 306 Cb 0.00 -2.46 0.09 0.00 0.56 0.00 0.00 36.38 34.56 8icr s VAL 306 CO 0.00 0.00 1.10 0.00 -0.31 0.00 0.00 175.10 175.89 8icr s ALA 307 N -3.80 -1.89 0.00 1.32 0.00 -1.26 -4.27 121.76 111.86 8icr s ALA 307 Ca 0.34 0.23 0.00 0.00 0.00 0.00 0.00 51.96 52.53 8icr s ALA 307 Cb 0.03 0.58 0.00 0.00 0.00 0.00 0.00 23.12 23.73 8icr s ALA 307 CO 0.16 -1.06 0.00 0.41 0.00 0.00 0.00 175.76 175.27 8icr n GLY 308 N -0.54 5.35 0.80 0.00 0.00 -1.26 -4.72 105.19 104.82 8icr n GLY 308 Ca -0.06 -1.36 0.00 0.00 0.00 0.00 0.00 46.02 44.60 8icr n GLY 308 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 8icr n GLU 309 N 0.00 0.00 -1.33 1.61 4.71 -1.26 -4.04 120.64 120.32 8icr n GLU 309 Ca 0.00 0.19 -0.34 0.00 -0.01 0.00 0.00 57.16 57.00 8icr n GLU 309 Cb 0.00 -0.80 -0.14 0.00 -1.01 0.00 0.00 31.44 29.49 8icr n GLU 309 CO 0.00 0.00 0.00 -2.30 0.09 0.00 0.00 177.13 174.92 8icr n PRO 310 N -0.61 0.00 -2.05 3.49 -0.02 -1.26 -4.33 135.00 130.22 8icr n PRO 310 Ca 0.00 0.00 -0.39 0.00 -2.02 0.00 0.00 63.50 61.09 8icr n PRO 310 Cb 0.27 -1.27 -0.00 0.00 -0.02 0.00 0.00 33.50 32.48 8icr n PRO 310 CO 0.00 0.00 0.00 -0.51 1.98 0.00 0.00 175.50 176.97 8icr s LEU 311 N 6.77 4.21 -0.10 2.45 2.01 -0.90 -4.94 118.68 128.18 8icr s LEU 311 Ca 1.20 2.66 -0.29 0.00 0.01 0.00 0.00 54.13 57.71 8icr s LEU 311 Cb -1.06 -3.90 -0.05 0.00 0.01 0.00 0.00 46.19 41.19 8icr s LEU 311 CO 0.45 -0.86 1.60 -2.84 1.01 0.00 0.00 176.35 175.71 8icr s PRO 312 N -2.25 4.12 -0.21 1.29 0.02 -1.26 -4.65 135.00 132.07 8icr s PRO 312 Ca 0.57 2.04 -0.01 0.00 0.02 0.00 0.00 61.00 63.62 8icr s PRO 312 Cb -0.38 -3.97 0.01 0.00 0.02 0.00 0.00 34.50 30.18 8icr s PRO 312 CO 0.49 -0.90 -0.12 0.08 -0.33 0.00 0.00 177.00 176.21 8icr s VAL 313 N 4.17 2.63 -0.85 3.83 1.01 -1.26 -4.96 120.40 124.97 8icr s VAL 313 Ca 0.71 -0.82 0.16 0.00 0.00 0.00 0.00 61.98 62.02 8icr s VAL 313 Cb -0.30 -2.19 -0.15 0.00 0.00 0.00 0.00 36.38 33.74 8icr s VAL 313 CO 0.27 0.43 0.69 0.47 0.00 0.00 0.00 175.10 176.97 8icr n ASP 314 N 4.68 0.87 -3.60 3.32 8.00 -1.26 -4.86 116.55 123.70 8icr n ASP 314 Ca -0.19 -0.93 -0.06 0.00 0.71 0.00 0.00 54.79 54.32 8icr n ASP 314 Cb 0.50 0.92 -0.04 0.00 -0.02 0.00 0.00 41.12 42.48 8icr n ASP 314 CO 0.00 0.00 0.00 -0.55 -0.39 0.00 0.00 177.20 176.26 8icr s SER 315 N -2.39 -0.20 0.54 -2.24 0.15 -1.26 -5.02 113.70 103.28 8icr s SER 315 Ca 0.07 0.13 0.44 0.00 0.70 0.00 0.00 55.95 57.30 8icr s SER 315 Cb 0.12 0.18 1.53 0.00 -1.71 0.00 0.00 66.02 66.13 8icr s SER 315 CO 0.61 -0.24 1.44 -0.62 1.20 0.00 0.00 173.24 175.63 8icr n GLU 316 N 0.31 0.00 0.08 5.44 1.02 -1.26 -0.63 120.64 125.60 8icr n GLU 316 Ca -0.04 1.02 -0.04 0.00 -0.02 0.00 0.00 57.16 58.09 8icr n GLU 316 Cb 0.59 -2.39 -0.02 0.00 -0.02 0.00 0.00 31.44 29.60 8icr n GLU 316 CO 0.00 0.00 0.00 -0.22 1.18 0.00 0.00 177.13 178.09 8icr h LYS 317 N 0.00 -0.22 -0.87 3.49 1.63 -1.98 -2.64 116.57 115.98 8icr h LYS 317 Ca 0.83 0.02 0.34 0.00 -0.85 0.00 0.00 60.65 60.98 8icr h LYS 317 Cb 3.48 0.05 -0.16 0.00 -0.60 0.00 0.00 32.23 35.00 8icr h LYS 317 CO -0.01 -0.15 0.39 -0.25 -3.45 0.00 0.00 179.45 175.98 8icr n ASP 318 N -2.82 0.23 0.28 4.20 8.00 0.20 0.42 116.55 127.07 8icr n ASP 318 Ca -0.03 1.44 -0.16 0.00 0.71 0.00 0.00 54.79 56.76 8icr n ASP 318 Cb 0.10 -0.67 -0.08 0.00 -0.02 0.00 0.00 41.12 40.44 8icr n ASP 318 CO 0.00 0.00 0.00 0.40 -0.39 0.00 0.00 177.20 177.21 8icr h ILE 319 N 0.00 0.44 -0.15 0.53 2.04 -1.57 -0.11 117.51 118.69 8icr h ILE 319 Ca 0.70 -0.22 0.02 0.00 1.00 0.00 0.00 64.86 66.35 8icr h ILE 319 Cb 1.79 0.54 -0.03 0.00 -0.74 0.00 0.00 36.82 38.38 8icr h ILE 319 CO -0.69 0.04 -0.20 -0.26 0.00 0.00 0.00 178.15 177.03 8icr h PHE 320 N -0.85 -0.62 -0.97 1.37 0.04 0.88 -2.03 116.94 114.76 8icr h PHE 320 Ca -0.07 0.03 0.18 0.00 2.80 0.00 0.00 57.97 60.91 8icr h PHE 320 Cb 0.60 0.29 -0.17 0.00 2.20 0.00 0.00 35.95 38.86 8icr h PHE 320 CO -0.01 -0.18 -0.30 -0.25 -0.60 0.00 0.00 178.31 176.98 8icr n ASP 321 N -3.66 -0.46 -0.06 2.17 8.00 0.17 -0.27 116.55 122.43 8icr n ASP 321 Ca -0.01 1.68 -0.09 0.00 0.71 0.00 0.00 54.79 57.08 8icr n ASP 321 Cb 0.12 -0.46 -0.03 0.00 -0.02 0.00 0.00 41.12 40.73 8icr n ASP 321 CO 0.00 0.00 0.00 1.88 -0.39 0.00 0.00 177.20 178.69 8icr h TYR 322 N 0.00 -0.95 0.00 1.24 -1.99 -0.30 1.04 116.97 116.01 8icr h TYR 322 Ca 0.42 0.05 0.00 0.00 2.00 0.00 0.00 58.73 61.20 8icr h TYR 322 Cb 0.66 0.46 0.00 0.00 2.00 0.00 0.00 36.73 39.85 8icr h TYR 322 CO -0.79 -0.40 0.00 0.44 -0.00 0.00 0.00 178.16 177.41 8icr n ILE 323 N -5.41 0.00 -3.63 -2.88 -5.35 0.63 -4.90 119.36 97.81 8icr n ILE 323 Ca -0.01 0.00 -0.27 0.00 -0.27 0.00 0.00 62.75 62.20 8icr n ILE 323 Cb 0.34 -0.21 0.03 0.00 -1.74 0.00 0.00 39.64 38.05 8icr n ILE 323 CO 0.00 0.00 0.00 0.00 -1.76 0.00 0.00 176.55 174.79 8icr n GLN 324 N -0.69 -1.24 -4.67 6.28 10.64 0.36 -4.91 117.38 123.15 8icr n GLN 324 Ca 0.09 0.63 -0.31 0.00 -1.83 0.00 0.00 57.00 55.59 8icr n GLN 324 Cb 0.04 -3.98 -0.07 0.00 -0.86 0.00 0.00 30.24 25.37 8icr n GLN 324 CO 0.00 0.00 0.00 -0.46 -1.83 0.00 0.00 177.06 174.77 8icr s TRP 325 N -3.32 1.76 -0.23 2.61 -0.00 -1.15 -5.00 118.94 113.61 8icr s TRP 325 Ca 0.34 -1.17 -0.22 0.00 -0.00 0.00 0.00 56.10 55.04 8icr s TRP 325 Cb -0.12 -1.37 -0.02 0.00 -0.00 0.00 0.00 33.47 31.96 8icr s TRP 325 CO 0.86 -0.07 0.70 -1.59 -0.00 0.00 0.00 176.95 176.84 8icr s LYS 326 N -3.78 4.17 0.09 5.86 -2.85 -1.26 -4.59 119.74 117.38 8icr s LYS 326 Ca 0.10 0.70 -0.34 0.00 -1.00 0.00 0.00 55.97 55.44 8icr s LYS 326 Cb 0.01 -3.63 -0.13 0.00 -2.06 0.00 0.00 37.83 32.02 8icr s LYS 326 CO 0.07 -0.39 1.68 0.98 0.10 0.00 0.00 175.35 177.79 8icr n TYR 327 N 5.60 2.33 -4.24 1.78 4.19 -1.26 -4.93 117.16 120.63 8icr n TYR 327 Ca 0.01 0.15 -0.34 0.00 3.31 0.00 0.00 57.90 61.03 8icr n TYR 327 Cb 0.49 -2.60 -0.13 0.00 0.49 0.00 0.00 39.34 37.59 8icr n TYR 327 CO 0.00 0.00 0.00 1.03 0.91 0.00 0.00 176.86 178.80 8icr s ARG 328 N 1.91 3.54 0.79 2.98 0.52 -1.26 -5.08 118.95 122.36 8icr s ARG 328 Ca 0.83 -0.57 -0.12 0.00 -0.52 0.00 0.00 55.73 55.34 8icr s ARG 328 Cb -0.66 -2.95 0.07 0.00 0.52 0.00 0.00 34.95 31.94 8icr s ARG 328 CO 0.41 0.06 1.15 -1.21 0.02 0.00 0.00 175.30 175.74 8icr s GLU 329 N 0.82 1.85 0.18 3.54 2.02 -1.26 -4.86 118.70 120.99 8icr s GLU 329 Ca -0.01 1.53 -0.13 0.00 0.02 0.00 0.00 54.97 56.38 8icr s GLU 329 Cb -0.15 -1.82 0.17 0.00 0.10 0.00 0.00 34.13 32.43 8icr s GLU 329 CO 0.02 -2.01 1.75 -1.35 0.02 0.00 0.00 175.26 173.69 8icr h PRO 330 N -0.97 0.37 -0.98 0.39 0.11 -1.95 -2.39 132.00 126.58 8icr h PRO 330 Ca -0.45 -0.02 0.31 0.00 0.11 0.00 0.00 66.00 65.95 8icr h PRO 330 Cb 1.27 -0.08 -0.18 0.00 0.11 0.00 0.00 31.00 32.12 8icr h PRO 330 CO 0.48 0.24 0.20 -0.22 -0.21 0.00 0.00 178.00 178.49 8icr h LYS 331 N 0.38 0.03 -0.80 1.05 3.64 -1.79 0.59 116.57 119.67 8icr h LYS 331 Ca 0.24 -0.00 -0.34 0.00 -1.27 0.00 0.00 60.65 59.28 8icr h LYS 331 Cb 0.24 -0.01 -0.20 0.00 -0.41 0.00 0.00 32.23 31.85 8icr h LYS 331 CO -0.23 0.02 0.40 -0.40 -2.27 0.00 0.00 179.45 176.96 8icr n ASP 332 N -5.39 4.04 -1.16 4.20 5.68 -0.90 -4.36 116.55 118.65 8icr n ASP 332 Ca 0.27 -3.46 0.06 0.00 -0.50 0.00 0.00 54.79 51.16 8icr n ASP 332 Cb 0.91 -0.77 0.24 0.00 -1.14 0.00 0.00 41.12 40.36 8icr n ASP 332 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 8icr n ARG 333 N -0.73 2.88 -0.04 0.11 5.12 0.20 -4.55 116.66 119.64 8icr n ARG 333 Ca 0.48 -1.88 0.23 0.00 -1.93 0.00 0.00 57.85 54.75 8icr n ARG 333 Cb 1.46 -1.72 0.72 0.00 -1.16 0.00 0.00 32.46 31.76 8icr n ARG 333 CO 0.00 0.00 0.00 0.77 -1.93 0.00 0.00 177.63 176.47 8icr h SER 334 N 2.66 0.00 0.00 0.55 0.02 -1.77 -2.52 113.55 112.49 8icr h SER 334 Ca 0.00 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 60.95 8icr h SER 334 Cb 1.09 0.00 0.00 0.00 0.14 0.00 0.00 62.40 63.63 8icr h SER 334 CO 0.18 0.00 0.00 -1.84 -1.14 0.00 0.00 176.83 174.03