#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 3hru n ASN 4 N 0.00 0.48 0.24 3.54 0.23 -1.26 -4.90 115.26 113.59 3hru n ASN 4 Ca 0.00 -1.45 0.07 0.00 -0.53 0.00 0.00 54.58 52.67 3hru n ASN 4 Cb 0.00 -0.33 0.58 0.00 -2.08 0.00 0.00 39.78 37.95 3hru n ASN 4 CO 0.00 0.00 0.00 0.07 -0.93 0.00 0.00 177.26 176.40 3hru h LYS 5 N 0.00 0.00 -0.08 -3.83 2.10 -2.00 -1.53 116.57 111.23 3hru h LYS 5 Ca -0.16 -0.00 -0.10 0.00 -2.00 0.00 0.00 60.65 58.39 3hru h LYS 5 Cb 0.55 -0.00 -0.01 0.00 -0.90 0.00 0.00 32.23 31.86 3hru h LYS 5 CO 0.15 0.08 -0.40 0.93 -2.00 0.00 0.00 179.45 178.21 3hru h GLU 6 N 0.00 0.17 0.00 0.07 5.08 -2.00 -2.31 114.58 115.60 3hru h GLU 6 Ca 0.00 -0.08 -0.19 0.00 -1.00 0.00 0.00 59.36 58.09 3hru h GLU 6 Cb 0.13 -0.00 -0.02 0.00 0.50 0.00 0.00 28.75 29.36 3hru h GLU 6 CO 0.01 0.55 -0.86 -0.44 -1.00 0.00 0.00 179.01 177.27 3hru h ASP 7 N 0.14 0.16 -0.30 1.42 3.45 -1.64 -2.25 116.42 117.41 3hru h ASP 7 Ca 0.01 -0.13 -0.14 0.00 0.43 0.00 0.00 57.03 57.20 3hru h ASP 7 Cb 0.78 -0.05 -0.01 0.00 -0.56 0.00 0.00 39.33 39.49 3hru h ASP 7 CO 0.06 0.95 -0.31 1.88 -1.57 0.00 0.00 179.24 180.24 3hru h TYR 8 N 0.07 0.96 -0.14 4.55 -1.99 -1.35 -2.23 116.97 116.83 3hru h TYR 8 Ca -0.03 -0.26 -0.04 0.00 2.00 0.00 0.00 58.73 60.40 3hru h TYR 8 Cb 1.49 -0.21 -0.00 0.00 2.00 0.00 0.00 36.73 40.01 3hru h TYR 8 CO 0.02 1.03 -0.06 -0.07 -0.00 0.00 0.00 178.16 179.07 3hru h LEU 9 N 0.69 0.31 -0.49 3.88 3.38 -1.26 0.43 115.31 122.26 3hru h LEU 9 Ca 0.08 -0.41 0.08 0.00 0.09 0.00 0.00 57.88 57.71 3hru h LEU 9 Cb 0.86 -0.08 -0.06 0.00 0.09 0.00 0.00 40.66 41.46 3hru h LEU 9 CO 0.08 0.64 0.12 0.50 0.09 0.00 0.00 178.44 179.87 3hru h LYS 10 N -0.03 0.26 0.00 1.13 3.11 -1.46 0.91 116.57 120.49 3hru h LYS 10 Ca 0.03 -0.02 0.00 0.00 -2.81 0.00 0.00 60.65 57.86 3hru h LYS 10 Cb 0.53 -0.06 0.00 0.00 -1.00 0.00 0.00 32.23 31.70 3hru h LYS 10 CO 0.02 0.17 0.00 0.00 -2.81 0.00 0.00 179.45 176.83 3hru h LEU 12 N 0.00 0.30 -0.26 0.00 3.38 -0.61 0.14 115.31 118.25 3hru h LEU 12 Ca 0.00 0.21 -0.06 0.00 0.09 0.00 0.00 57.88 58.13 3hru h LEU 12 Cb 0.00 0.21 -0.01 0.00 0.09 0.00 0.00 40.66 40.96 3hru h LEU 12 CO 0.00 -0.34 -0.06 0.22 0.09 0.00 0.00 178.44 178.35 3hru h TYR 13 N 0.04 0.56 0.00 1.13 5.03 0.15 -2.32 116.97 121.56 3hru h TYR 13 Ca 0.85 -0.12 -0.17 0.00 2.58 0.00 0.00 58.73 61.87 3hru h TYR 13 Cb 2.40 -0.14 -0.03 0.00 1.55 0.00 0.00 36.73 40.51 3hru h TYR 13 CO -0.01 0.71 -0.95 1.05 -1.32 0.00 0.00 178.16 177.64 3hru h GLU 14 N 0.25 0.00 -0.03 1.82 4.11 -0.30 -3.21 114.58 117.23 3hru h GLU 14 Ca 0.07 0.00 0.01 0.00 0.07 0.00 0.00 59.36 59.51 3hru h GLU 14 Cb 0.53 0.00 -0.00 0.00 0.50 0.00 0.00 28.75 29.77 3hru h GLU 14 CO 0.02 0.59 0.03 1.25 0.07 0.00 0.00 179.01 180.98 3hru h LEU 15 N 0.00 0.00 -0.77 3.06 5.85 -0.65 -0.60 115.31 122.20 3hru h LEU 15 Ca -0.07 0.00 0.00 0.00 0.84 0.00 0.00 57.88 58.65 3hru h LEU 15 Cb 1.60 0.00 0.00 0.00 0.37 0.00 0.00 40.66 42.63 3hru h LEU 15 CO 0.08 0.00 -0.30 0.61 -0.34 0.00 0.00 178.44 178.49 3hru n GLY 16 N -1.34 -0.27 0.00 3.75 0.00 -0.89 -1.38 105.19 105.07 3hru n GLY 16 Ca -0.02 -0.50 0.00 0.00 0.00 0.00 0.00 46.02 45.49 3hru n GLY 16 CO 0.00 0.00 0.00 -0.37 0.00 0.00 0.00 173.32 172.95 3hru n THR 17 N -0.28 0.00 0.00 2.61 5.66 -0.24 -5.01 114.28 117.02 3hru n THR 17 Ca 0.12 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.12 3hru n THR 17 Cb 0.40 -0.50 0.00 0.00 -1.55 0.00 0.00 70.33 68.68 3hru n THR 17 CO 0.00 0.00 0.00 -3.20 -3.05 0.00 0.00 175.07 168.82 3hru n ASN 20 N -0.43 0.83 -4.60 1.09 2.85 -0.48 -5.15 115.26 109.37 3hru n ASN 20 Ca 0.00 0.00 -0.43 0.00 -0.11 0.00 0.00 54.58 54.04 3hru n ASN 20 Cb 0.00 0.00 -0.02 0.00 1.24 0.00 0.00 39.78 41.00 3hru n ASN 20 CO 0.00 0.00 0.00 -0.75 -2.11 0.00 0.00 177.26 174.40 3hru s LYS 21 N 4.29 3.59 -0.10 1.20 2.20 -1.26 -4.73 119.74 124.93 3hru s LYS 21 Ca 0.00 1.05 -0.25 0.00 -0.36 0.00 0.00 55.97 56.40 3hru s LYS 21 Cb 0.00 -4.03 -0.03 0.00 -1.51 0.00 0.00 37.83 32.26 3hru s LYS 21 CO 0.00 -1.55 0.80 -1.50 -0.36 0.00 0.00 175.35 172.74 3hru s ILE 22 N 5.49 4.95 0.17 5.43 1.10 -1.01 -4.94 121.20 132.38 3hru s ILE 22 Ca 0.63 1.62 0.07 0.00 -0.51 0.00 0.00 60.65 62.47 3hru s ILE 22 Cb -0.15 -4.13 -0.04 0.00 0.15 0.00 0.00 42.46 38.29 3hru s ILE 22 CO 0.32 0.14 -0.01 0.42 -2.11 0.00 0.00 174.94 173.70 3hru s THR 23 N 1.41 3.69 0.54 4.00 -4.23 -1.26 -4.46 115.64 115.32 3hru s THR 23 Ca 0.40 -1.43 0.21 0.00 -1.18 0.00 0.00 61.69 59.69 3hru s THR 23 Cb -0.18 -2.85 0.31 0.00 1.34 0.00 0.00 72.50 71.12 3hru s THR 23 CO 0.17 -0.10 2.13 0.78 -0.54 0.00 0.00 174.62 177.06 3hru h ASN 24 N 2.74 0.00 0.55 3.99 2.35 -2.00 -2.22 115.58 120.99 3hru h ASN 24 Ca -0.47 0.00 -0.03 0.00 -0.55 0.00 0.00 56.30 55.25 3hru h ASN 24 Cb 1.20 0.00 0.01 0.00 0.05 0.00 0.00 38.32 39.58 3hru h ASN 24 CO 0.58 0.00 -0.27 0.50 -1.65 0.00 0.00 177.43 176.59 3hru h LYS 25 N 0.00 -0.71 -0.89 0.81 3.64 -1.99 -1.55 116.57 115.88 3hru h LYS 25 Ca 0.05 0.05 0.17 0.00 -1.27 0.00 0.00 60.65 59.65 3hru h LYS 25 Cb 0.22 0.16 -0.10 0.00 -0.41 0.00 0.00 32.23 32.10 3hru h LYS 25 CO -0.00 -0.41 0.47 0.93 -2.27 0.00 0.00 179.45 178.17 3hru h GLU 26 N -0.97 0.61 0.60 1.90 5.08 -1.89 0.24 114.58 120.15 3hru h GLU 26 Ca -0.08 -0.04 -0.03 0.00 -1.00 0.00 0.00 59.36 58.22 3hru h GLU 26 Cb 0.64 -0.14 0.01 0.00 0.50 0.00 0.00 28.75 29.76 3hru h GLU 26 CO 0.12 0.40 -0.29 0.82 -1.00 0.00 0.00 179.01 179.07 3hru h ILE 27 N 0.62 0.39 -1.00 3.13 2.04 -1.36 0.17 117.51 121.50 3hru h ILE 27 Ca 0.50 -0.10 0.23 0.00 1.00 0.00 0.00 64.86 66.49 3hru h ILE 27 Cb 0.76 0.43 -0.10 0.00 -0.74 0.00 0.00 36.82 37.17 3hru h ILE 27 CO -0.39 0.02 0.63 0.00 0.00 0.00 0.00 178.15 178.40 3hru h ALA 28 N -0.49 1.95 0.56 1.87 0.00 -0.45 0.64 119.26 123.33 3hru h ALA 28 Ca -0.08 0.08 -0.03 0.00 0.00 0.00 0.00 54.91 54.88 3hru h ALA 28 Cb 0.64 -0.02 0.01 0.00 0.00 0.00 0.00 17.79 18.42 3hru h ALA 28 CO 0.13 -0.34 -0.27 1.96 0.00 0.00 0.00 179.25 180.73 3hru h GLN 29 N 0.56 -0.73 0.00 0.00 4.20 -0.60 -0.39 115.11 118.15 3hru h GLN 29 Ca 0.59 0.05 -0.03 0.00 0.06 0.00 0.00 58.65 59.32 3hru h GLN 29 Cb 1.20 0.17 -0.00 0.00 0.30 0.00 0.00 27.48 29.14 3hru h GLN 29 CO -0.35 -0.44 -0.13 -0.07 -0.67 0.00 0.00 178.83 177.17 3hru h LEU 30 N -1.12 0.00 -0.10 1.46 4.07 0.10 -1.28 115.31 118.45 3hru h LEU 30 Ca -0.08 0.00 0.00 0.00 0.08 0.00 0.00 57.88 57.88 3hru h LEU 30 Cb 0.63 0.00 0.00 0.00 1.08 0.00 0.00 40.66 42.37 3hru h LEU 30 CO 0.13 0.13 -0.57 0.23 -1.08 0.00 0.00 178.44 177.28 3hru n MET 31 N -4.09 0.15 -3.58 1.13 2.81 0.14 -4.99 117.12 108.70 3hru n MET 31 Ca -0.02 -0.10 -0.24 0.00 -1.81 0.00 0.00 57.70 55.53 3hru n MET 31 Cb 0.21 -1.50 0.03 0.00 -0.71 0.00 0.00 33.22 31.25 3hru n MET 31 CO 0.00 0.00 0.00 0.94 1.51 0.00 0.00 175.97 178.42 3hru n GLN 32 N -1.34 -1.30 -4.12 0.03 -0.06 -0.48 -5.01 117.38 105.10 3hru n GLN 32 Ca 0.06 0.73 -0.11 0.00 -2.00 0.00 0.00 57.00 55.68 3hru n GLN 32 Cb 0.34 -4.07 -0.08 0.00 -4.06 0.00 0.00 30.24 22.37 3hru n GLN 32 CO 0.00 0.00 0.00 0.14 -0.20 0.00 0.00 177.06 177.00 3hru s VAL 33 N -3.27 0.01 0.15 1.69 -7.23 -0.22 -5.04 120.40 106.48 3hru s VAL 33 Ca 0.28 -1.77 -0.31 0.00 -1.81 0.00 0.00 61.98 58.37 3hru s VAL 33 Cb -0.10 -2.35 -0.10 0.00 0.56 0.00 0.00 36.38 34.39 3hru s VAL 33 CO 0.85 -0.04 1.69 -0.55 -0.31 0.00 0.00 175.10 176.74 3hru s SER 34 N -3.10 6.49 0.30 4.85 0.15 -1.26 -4.72 113.70 116.42 3hru s SER 34 Ca 0.32 2.69 0.07 0.00 0.70 0.00 0.00 55.95 59.73 3hru s SER 34 Cb 0.04 -2.58 0.79 0.00 -1.71 0.00 0.00 66.02 62.56 3hru s SER 34 CO 0.10 -0.92 1.73 -0.65 1.20 0.00 0.00 173.24 174.70 3hru h PRO 35 N 7.53 0.57 0.00 5.44 0.11 -1.95 0.22 132.00 143.92 3hru h PRO 35 Ca -0.44 -0.03 -0.03 0.00 0.11 0.00 0.00 66.00 65.61 3hru h PRO 35 Cb 1.21 -0.13 -0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hru h PRO 35 CO 0.94 0.37 -0.14 -1.35 -0.21 0.00 0.00 178.00 177.61 3hru h PRO 36 N 0.58 0.00 0.00 1.05 0.11 -2.01 -2.78 132.00 128.95 3hru h PRO 36 Ca 0.60 0.00 0.00 0.00 0.11 0.00 0.00 66.00 66.71 3hru h PRO 36 Cb 1.07 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.18 3hru h PRO 36 CO -0.46 0.14 -0.32 0.00 -0.21 0.00 0.00 178.00 177.16 3hru n ALA 37 N -2.44 2.68 0.16 -0.75 0.00 0.65 -3.06 120.51 117.75 3hru n ALA 37 Ca -0.02 -0.16 -0.07 0.00 0.00 0.00 0.00 53.44 53.19 3hru n ALA 37 Cb 0.22 -1.31 -0.03 0.00 0.00 0.00 0.00 19.45 18.33 3hru n ALA 37 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.50 177.78 3hru h VAL 38 N 0.00 0.00 -1.01 0.00 2.07 -0.88 -3.00 116.25 113.44 3hru h VAL 38 Ca 0.00 -0.62 0.24 0.00 0.82 0.00 0.00 66.70 67.14 3hru h VAL 38 Cb 0.70 0.00 -0.12 0.00 -1.52 0.00 0.00 31.29 30.34 3hru h VAL 38 CO 0.00 0.00 0.60 0.74 0.02 0.00 0.00 177.57 178.93 3hru h THR 39 N -1.09 0.55 -0.95 2.57 2.02 -1.65 0.26 112.91 114.62 3hru h THR 39 Ca -0.05 -0.20 0.03 0.00 0.77 0.00 0.00 66.41 66.96 3hru h THR 39 Cb 0.36 -0.10 -0.05 0.00 -1.74 0.00 0.00 68.15 66.62 3hru h THR 39 CO 0.08 0.11 0.62 -0.33 0.37 0.00 0.00 175.52 176.37 3hru h GLU 40 N 0.59 1.19 0.05 6.66 4.39 -1.61 -1.68 114.58 124.18 3hru h GLU 40 Ca 0.64 -0.07 -0.12 0.00 0.34 0.00 0.00 59.36 60.14 3hru h GLU 40 Cb 1.20 -0.27 0.01 0.00 -0.10 0.00 0.00 28.75 29.60 3hru h GLU 40 CO -0.46 0.79 -0.52 1.98 -1.16 0.00 0.00 179.01 179.64 3hru h MET 41 N 1.23 0.25 -0.33 2.33 4.05 -0.39 -3.07 114.93 119.00 3hru h MET 41 Ca 0.37 -0.35 0.08 0.00 -0.28 0.00 0.00 59.70 59.52 3hru h MET 41 Cb -0.04 0.12 -0.02 0.00 -0.80 0.00 0.00 31.60 30.86 3hru h MET 41 CO -0.11 1.10 0.23 0.52 0.23 0.00 0.00 176.91 178.88 3hru h MET 42 N -0.43 0.10 -0.29 0.39 2.86 -1.13 0.27 114.93 116.70 3hru h MET 42 Ca -0.08 -0.01 0.03 0.00 -2.06 0.00 0.00 59.70 57.59 3hru h MET 42 Cb 1.33 -0.02 -0.03 0.00 0.06 0.00 0.00 31.60 32.93 3hru h MET 42 CO 0.10 0.07 0.10 0.87 1.06 0.00 0.00 176.91 179.10 3hru h LYS 43 N 0.10 0.22 0.31 1.72 1.57 -1.26 0.12 116.57 119.35 3hru h LYS 43 Ca 0.15 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 58.90 3hru h LYS 43 Cb 0.48 -0.05 0.00 0.00 0.08 0.00 0.00 32.23 32.74 3hru h LYS 43 CO -0.02 0.14 -0.15 -0.22 -0.57 0.00 0.00 179.45 178.64 3hru h LYS 44 N 0.23 -0.40 -0.79 3.15 3.64 -0.95 -2.52 116.57 118.92 3hru h LYS 44 Ca 0.13 0.03 0.18 0.00 -1.27 0.00 0.00 60.65 59.72 3hru h LYS 44 Cb 0.10 0.09 -0.12 0.00 -0.41 0.00 0.00 32.23 31.90 3hru h LYS 44 CO -0.14 -0.07 0.22 -0.07 -2.27 0.00 0.00 179.45 177.13 3hru h LEU 45 N -0.83 0.07 -0.73 5.20 -0.00 -0.56 0.73 115.31 119.19 3hru h LEU 45 Ca -0.04 0.15 0.05 0.00 -0.00 0.00 0.00 57.88 58.04 3hru h LEU 45 Cb 0.52 0.20 -0.05 0.00 -0.00 0.00 0.00 40.66 41.32 3hru h LEU 45 CO 0.07 -0.04 0.44 -0.07 -0.00 0.00 0.00 178.44 178.84 3hru h LEU 46 N 0.29 0.70 0.12 1.67 4.07 -0.75 -1.48 115.31 119.93 3hru h LEU 46 Ca 0.46 0.01 -0.32 0.00 0.08 0.00 0.00 57.88 58.11 3hru h LEU 46 Cb 0.82 -0.14 -0.01 0.00 1.08 0.00 0.00 40.66 42.42 3hru h LEU 46 CO -0.54 0.47 -1.63 0.00 -1.08 0.00 0.00 178.44 175.66 3hru h ALA 47 N 1.34 0.32 0.00 1.53 0.00 -0.41 -2.52 119.26 119.51 3hru h ALA 47 Ca 0.31 -1.18 0.00 0.00 0.00 0.00 0.00 54.91 54.04 3hru h ALA 47 Cb 0.10 0.37 0.00 0.00 0.00 0.00 0.00 17.79 18.26 3hru h ALA 47 CO -0.14 1.18 0.00 0.39 0.00 0.00 0.00 179.25 180.68 3hru n GLU 48 N -3.44 0.11 -2.29 0.00 -0.58 0.23 -4.85 120.64 109.82 3hru n GLU 48 Ca -0.19 0.22 -0.12 0.00 -0.42 0.00 0.00 57.16 56.64 3hru n GLU 48 Cb 1.05 -1.50 -0.00 0.00 -0.57 0.00 0.00 31.44 30.42 3hru n GLU 48 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 3hru n GLU 49 N -1.31 -1.23 0.05 3.49 1.02 -0.95 -4.94 120.64 116.78 3hru n GLU 49 Ca 0.04 0.59 -0.03 0.00 -0.02 0.00 0.00 57.16 57.74 3hru n GLU 49 Cb 0.07 -4.77 -0.08 0.00 -0.02 0.00 0.00 31.44 26.65 3hru n GLU 49 CO 0.00 0.00 0.00 -0.07 1.18 0.00 0.00 177.13 178.24 3hru h LEU 50 N -0.10 0.00 -8.29 -4.62 4.07 -1.47 -3.40 115.31 101.50 3hru h LEU 50 Ca -0.30 0.00 -0.13 0.00 0.08 0.00 0.00 57.88 57.54 3hru h LEU 50 Cb 1.22 0.00 -0.12 0.00 1.08 0.00 0.00 40.66 42.84 3hru h LEU 50 CO 0.35 0.74 -0.34 -1.48 -1.08 0.00 0.00 178.44 176.62 3hru s LEU 51 N -6.22 0.82 0.08 1.67 0.05 -1.24 -0.64 118.68 113.20 3hru s LEU 51 Ca -0.01 -1.05 0.07 0.00 0.05 0.00 0.00 54.13 53.20 3hru s LEU 51 Cb 0.09 1.14 -0.03 0.00 -2.05 0.00 0.00 46.19 45.33 3hru s LEU 51 CO 0.80 -0.96 -0.19 0.27 -0.55 0.00 0.00 176.35 175.72 3hru s ILE 52 N -4.04 1.54 0.71 1.48 -4.36 0.16 -4.57 121.20 112.12 3hru s ILE 52 Ca 0.25 -1.40 -0.16 0.00 -0.26 0.00 0.00 60.65 59.09 3hru s ILE 52 Cb 0.03 -1.40 0.03 0.00 1.25 0.00 0.00 42.46 42.37 3hru s ILE 52 CO 0.07 -0.05 1.23 -0.54 0.24 0.00 0.00 174.94 175.89 3hru s LYS 53 N -1.70 2.21 -0.20 0.37 1.02 -1.26 -1.19 119.74 118.99 3hru s LYS 53 Ca 0.05 1.84 -0.19 0.00 0.02 0.00 0.00 55.97 57.69 3hru s LYS 53 Cb -0.10 -1.83 0.05 0.00 -0.52 0.00 0.00 37.83 35.43 3hru s LYS 53 CO 0.03 -1.80 0.54 0.34 -0.92 0.00 0.00 175.35 173.54 3hru s ASP 54 N -1.87 -0.56 -0.02 2.83 -1.08 -0.95 -4.67 116.67 110.35 3hru s ASP 54 Ca 0.76 1.08 -0.23 0.00 -0.52 0.00 0.00 52.55 53.65 3hru s ASP 54 Cb -0.31 1.10 -0.16 0.00 -1.46 0.00 0.00 42.92 42.09 3hru s ASP 54 CO 0.44 -0.19 1.06 0.07 0.52 0.00 0.00 175.17 177.07 3hru h LYS 55 N 5.33 -0.36 -0.70 4.34 2.10 -1.96 0.11 116.57 125.43 3hru h LYS 55 Ca -0.28 0.02 -0.05 0.00 -2.00 0.00 0.00 60.65 58.35 3hru h LYS 55 Cb 1.17 0.08 -0.03 0.00 -0.90 0.00 0.00 32.23 32.55 3hru h LYS 55 CO 0.17 -0.01 0.26 0.87 -2.00 0.00 0.00 179.45 178.74 3hru h LYS 56 N -0.84 1.06 -0.01 0.07 1.79 -2.01 -3.30 116.57 113.34 3hru h LYS 56 Ca -0.04 -0.21 0.00 0.00 -2.18 0.00 0.00 60.65 58.22 3hru h LYS 56 Cb 0.51 -0.16 0.00 0.00 -1.58 0.00 0.00 32.23 31.00 3hru h LYS 56 CO 0.06 0.89 -0.44 0.00 -1.08 0.00 0.00 179.45 178.88 3hru n ALA 57 N -2.41 3.44 0.00 3.86 0.00 -1.25 -4.36 120.51 119.79 3hru n ALA 57 Ca 0.05 -0.56 0.00 0.00 0.00 0.00 0.00 53.44 52.93 3hru n ALA 57 Cb 0.19 -0.63 0.00 0.00 0.00 0.00 0.00 19.45 19.01 3hru n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 3hru n GLY 58 N 1.26 2.17 3.21 0.00 0.00 0.38 -2.41 105.19 109.79 3hru n GLY 58 Ca 0.07 -0.37 -0.13 0.00 0.00 0.00 0.00 46.02 45.59 3hru n GLY 58 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hru s TYR 59 N 0.00 -0.38 0.15 1.61 1.51 -1.26 -2.25 117.35 116.74 3hru s TYR 59 Ca 0.00 0.90 0.06 0.00 -1.01 0.00 0.00 57.07 57.02 3hru s TYR 59 Cb 0.00 0.13 -0.04 0.00 -0.11 0.00 0.00 41.96 41.94 3hru s TYR 59 CO 0.00 -0.19 0.02 -0.51 -1.11 0.00 0.00 175.55 173.76 3hru s LEU 60 N 0.37 3.44 -0.04 -1.29 1.02 -0.33 -4.85 118.68 117.00 3hru s LEU 60 Ca -0.02 -0.30 -0.16 0.00 0.02 0.00 0.00 54.13 53.68 3hru s LEU 60 Cb -0.03 -2.10 -0.05 0.00 0.02 0.00 0.00 46.19 44.02 3hru s LEU 60 CO -0.01 0.11 0.44 -0.76 0.02 0.00 0.00 176.35 176.14 3hru s LEU 61 N -2.82 4.41 0.67 1.79 1.02 -1.26 -0.67 118.68 121.81 3hru s LEU 61 Ca 0.28 0.93 -0.11 0.00 0.02 0.00 0.00 54.13 55.24 3hru s LEU 61 Cb -0.10 -2.63 -0.01 0.00 0.02 0.00 0.00 46.19 43.46 3hru s LEU 61 CO 0.19 0.22 1.05 0.42 0.02 0.00 0.00 176.35 178.25 3hru s THR 62 N -0.51 4.30 0.50 5.49 -4.23 0.19 -4.82 115.64 116.55 3hru s THR 62 Ca 0.24 0.75 0.24 0.00 -1.18 0.00 0.00 61.69 61.74 3hru s THR 62 Cb -0.16 -3.59 0.40 0.00 1.34 0.00 0.00 72.50 70.49 3hru s THR 62 CO 0.12 -0.97 1.95 -0.78 -0.54 0.00 0.00 174.62 174.40 3hru h ASP 63 N -0.56 0.11 0.09 3.99 1.82 -1.89 0.12 116.42 120.10 3hru h ASP 63 Ca -0.44 0.01 -0.00 0.00 -0.39 0.00 0.00 57.03 56.20 3hru h ASP 63 Cb 1.20 -0.01 0.00 0.00 0.68 0.00 0.00 39.33 41.20 3hru h ASP 63 CO 0.59 0.06 -0.04 0.25 -1.61 0.00 0.00 179.24 178.48 3hru h LEU 64 N 0.12 -0.10 -1.24 2.28 5.85 -1.86 0.70 115.31 121.06 3hru h LEU 64 Ca 0.33 -0.20 0.07 0.00 0.84 0.00 0.00 57.88 58.91 3hru h LEU 64 Cb 1.12 0.03 -0.05 0.00 0.37 0.00 0.00 40.66 42.12 3hru h LEU 64 CO -0.04 0.14 0.54 1.23 -0.34 0.00 0.00 178.44 179.98 3hru h GLY 65 N -0.35 1.17 0.90 3.75 0.00 -0.91 -1.29 103.07 106.34 3hru h GLY 65 Ca -0.01 -0.37 -0.02 0.00 0.00 0.00 0.00 47.33 46.93 3hru h GLY 65 CO 0.02 0.27 0.09 1.41 0.00 0.00 0.00 176.54 178.33 3hru h LEU 66 N 0.91 0.36 -1.46 3.11 4.07 -0.51 -0.20 115.31 121.60 3hru h LEU 66 Ca 0.36 -0.18 -0.03 0.00 0.08 0.00 0.00 57.88 58.11 3hru h LEU 66 Cb 0.24 -0.09 -0.01 0.00 1.08 0.00 0.00 40.66 41.87 3hru h LEU 66 CO -0.13 0.44 0.03 0.11 -1.08 0.00 0.00 178.44 177.81 3hru h LYS 67 N 0.26 0.38 -0.25 1.13 1.57 -0.39 -1.22 116.57 118.04 3hru h LYS 67 Ca 0.08 -0.06 -0.09 0.00 -1.87 0.00 0.00 60.65 58.71 3hru h LYS 67 Cb 0.20 -0.07 -0.01 0.00 0.08 0.00 0.00 32.23 32.44 3hru h LYS 67 CO -0.01 0.39 -0.20 1.25 -0.57 0.00 0.00 179.45 180.31 3hru h LEU 68 N 0.37 0.62 -0.59 2.94 6.46 -0.76 -1.94 115.31 122.41 3hru h LEU 68 Ca 0.09 -0.45 0.07 0.00 -0.12 0.00 0.00 57.88 57.46 3hru h LEU 68 Cb 0.21 -0.17 -0.06 0.00 -0.73 0.00 0.00 40.66 39.91 3hru h LEU 68 CO 0.00 0.94 0.28 0.58 -0.62 0.00 0.00 178.44 179.62 3hru h VAL 69 N 0.30 0.89 -0.76 1.05 2.07 -0.74 -2.06 116.25 117.00 3hru h VAL 69 Ca 0.05 -0.18 0.06 0.00 0.82 0.00 0.00 66.70 67.45 3hru h VAL 69 Cb 0.74 0.32 -0.06 0.00 -1.52 0.00 0.00 31.29 30.78 3hru h VAL 69 CO 0.05 0.10 0.45 -1.28 0.02 0.00 0.00 177.57 176.91 3hru h SER 70 N 0.52 0.70 0.77 0.57 0.87 -0.90 -2.20 113.55 113.87 3hru h SER 70 Ca 0.28 0.02 -0.04 0.00 -1.23 0.00 0.00 61.79 60.82 3hru h SER 70 Cb 0.24 -0.12 0.01 0.00 -0.44 0.00 0.00 62.40 62.09 3hru h SER 70 CO -0.22 0.45 -0.37 0.44 -0.53 0.00 0.00 176.83 176.60 3hru h ASP 71 N 0.83 -0.88 -0.77 6.23 3.45 -0.71 -0.69 116.42 123.89 3hru h ASP 71 Ca 0.33 0.02 0.18 0.00 0.43 0.00 0.00 57.03 57.99 3hru h ASP 71 Cb 0.17 0.23 -0.14 0.00 -0.56 0.00 0.00 39.33 39.02 3hru h ASP 71 CO -0.17 -0.60 -0.11 0.18 -1.57 0.00 0.00 179.24 176.97 3hru n LEU 72 N -5.52 -0.20 -0.03 1.55 4.77 -0.84 -0.59 117.00 116.14 3hru n LEU 72 Ca -0.14 1.32 -0.15 0.00 -0.03 0.00 0.00 56.01 57.00 3hru n LEU 72 Cb 0.42 -0.43 -0.11 0.00 -2.33 0.00 0.00 43.42 40.97 3hru n LEU 72 CO 0.38 -1.29 0.43 1.88 -1.33 0.00 0.00 177.39 177.46 3hru h TYR 73 N 0.00 0.21 -0.81 -1.77 0.99 -1.20 -0.55 116.97 113.85 3hru h TYR 73 Ca 0.41 -0.11 0.11 0.00 2.00 0.00 0.00 58.73 61.14 3hru h TYR 73 Cb 0.72 -0.03 -0.13 0.00 1.00 0.00 0.00 36.73 38.30 3hru h TYR 73 CO -0.51 0.88 -0.46 0.00 -0.00 0.00 0.00 178.16 178.07 3hru h ARG 74 N -0.52 -0.10 -0.01 4.88 3.08 0.03 0.18 114.38 121.93 3hru h ARG 74 Ca -0.02 0.01 0.01 0.00 0.07 0.00 0.00 59.98 60.05 3hru h ARG 74 Cb 0.93 0.02 -0.01 0.00 0.08 0.00 0.00 29.97 30.99 3hru h ARG 74 CO 0.04 -0.07 -0.04 -0.22 -1.07 0.00 0.00 179.97 178.61 3hru h LYS 75 N -0.10 -0.07 -0.42 0.04 3.64 -0.79 0.49 116.57 119.36 3hru h LYS 75 Ca 0.22 0.00 -0.00 0.00 -1.27 0.00 0.00 60.65 59.61 3hru h LYS 75 Cb 0.54 0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 32.35 3hru h LYS 75 CO -0.84 -0.05 0.25 1.25 -2.27 0.00 0.00 179.45 177.79 3hru h HIS 76 N -0.07 0.56 -0.05 1.91 2.76 -0.67 -1.53 115.15 118.05 3hru h HIS 76 Ca 0.02 -0.00 -0.17 0.00 -2.20 0.00 0.00 60.37 58.02 3hru h HIS 76 Cb 0.10 -0.18 0.01 0.00 1.55 0.00 0.00 27.41 28.89 3hru h HIS 76 CO -0.12 0.40 -0.63 0.00 -1.30 0.00 0.00 177.93 176.28 3hru h ARG 77 N 0.55 0.51 -0.18 5.26 3.08 -0.49 -2.02 114.38 121.09 3hru h ARG 77 Ca 0.15 -0.49 0.00 0.00 0.07 0.00 0.00 59.98 59.71 3hru h ARG 77 Cb 0.01 0.12 -0.01 0.00 0.08 0.00 0.00 29.97 30.17 3hru h ARG 77 CO -0.03 1.12 0.12 -0.07 -1.07 0.00 0.00 179.97 180.04 3hru h LEU 78 N 0.08 0.22 -0.53 3.04 3.38 -0.90 0.16 115.31 120.75 3hru h LEU 78 Ca -0.07 -0.03 0.06 0.00 0.09 0.00 0.00 57.88 57.93 3hru h LEU 78 Cb 1.31 -0.05 -0.05 0.00 0.09 0.00 0.00 40.66 41.95 3hru h LEU 78 CO 0.13 0.18 0.24 0.40 0.09 0.00 0.00 178.44 179.48 3hru h ILE 79 N 0.23 0.91 0.16 1.22 1.08 -1.32 0.16 117.51 119.96 3hru h ILE 79 Ca 0.07 -0.16 0.02 0.00 -0.39 0.00 0.00 64.86 64.39 3hru h ILE 79 Cb -0.00 0.40 -0.04 0.00 -3.07 0.00 0.00 36.82 34.11 3hru h ILE 79 CO -0.01 0.09 -0.34 -0.08 -0.69 0.00 0.00 178.15 177.11 3hru h GLU 80 N 0.47 -0.57 -0.74 2.37 4.81 -0.69 0.25 114.58 120.47 3hru h GLU 80 Ca 0.24 0.04 0.05 0.00 -0.13 0.00 0.00 59.36 59.56 3hru h GLU 80 Cb 0.19 0.13 -0.05 0.00 0.63 0.00 0.00 28.75 29.65 3hru h GLU 80 CO -0.19 -0.38 0.45 0.28 -0.73 0.00 0.00 179.01 178.44 3hru h VAL 81 N -0.59 1.04 0.45 0.32 2.07 0.12 -1.47 116.25 118.19 3hru h VAL 81 Ca 0.02 -0.29 -0.02 0.00 0.82 0.00 0.00 66.70 67.23 3hru h VAL 81 Cb 0.60 0.12 0.00 0.00 -1.52 0.00 0.00 31.29 30.50 3hru h VAL 81 CO -0.17 0.15 -0.22 0.15 0.02 0.00 0.00 177.57 177.50 3hru h PHE 82 N 0.84 -0.57 -0.49 1.57 3.57 -0.08 -1.28 116.94 120.51 3hru h PHE 82 Ca 0.32 -0.01 0.10 0.00 3.53 0.00 0.00 57.97 61.90 3hru h PHE 82 Cb 0.12 0.19 -0.09 0.00 2.79 0.00 0.00 35.95 38.96 3hru h PHE 82 CO -0.05 -0.31 -0.09 -0.07 -2.23 0.00 0.00 178.31 175.56 3hru h LEU 83 N -0.68 -0.38 0.11 0.59 3.38 0.47 -0.20 115.31 118.59 3hru h LEU 83 Ca -0.06 0.14 -0.16 0.00 0.09 0.00 0.00 57.88 57.88 3hru h LEU 83 Cb 0.50 0.28 0.01 0.00 0.09 0.00 0.00 40.66 41.54 3hru h LEU 83 CO 0.10 -0.14 -0.75 -0.37 0.09 0.00 0.00 178.44 177.38 3hru h VAL 84 N 0.03 1.49 -0.12 1.22 -1.51 -1.38 -1.55 116.25 114.43 3hru h VAL 84 Ca 0.24 -2.47 -0.13 0.00 -1.23 0.00 0.00 66.70 63.11 3hru h VAL 84 Cb 0.37 3.15 -0.01 0.00 -2.13 0.00 0.00 31.29 32.66 3hru h VAL 84 CO -0.48 0.68 -0.49 0.45 -1.23 0.00 0.00 177.57 176.51 3hru h HIS 85 N -0.51 0.37 0.00 5.19 3.86 -1.21 -2.40 115.15 120.45 3hru h HIS 85 Ca -0.14 -0.12 -0.38 0.00 -1.16 0.00 0.00 60.37 58.57 3hru h HIS 85 Cb 1.52 -0.08 -0.07 0.00 1.06 0.00 0.00 27.41 29.85 3hru h HIS 85 CO 0.20 0.73 -2.43 0.72 0.86 0.00 0.00 177.93 178.01 3hru n HIS 86 N -3.97 0.01 -0.91 2.45 8.25 -0.09 -4.60 115.22 116.35 3hru n HIS 86 Ca -0.02 0.00 0.08 0.00 -0.26 0.00 0.00 57.72 57.53 3hru n HIS 86 Cb 0.54 -1.00 0.19 0.00 1.12 0.00 0.00 29.99 30.84 3hru n HIS 86 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 3hru n LEU 87 N -3.03 3.11 -3.54 2.41 4.77 -0.73 -4.98 117.00 115.01 3hru n LEU 87 Ca -0.40 -2.92 -0.25 0.00 -0.03 0.00 0.00 56.01 52.41 3hru n LEU 87 Cb 1.07 -0.45 -0.02 0.00 -2.33 0.00 0.00 43.42 41.69 3hru n LEU 87 CO 0.34 0.68 -0.06 0.61 -1.33 0.00 0.00 177.39 177.63 3hru n GLY 88 N -0.81 -0.47 3.73 -0.72 0.00 -0.90 -4.88 105.19 101.14 3hru n GLY 88 Ca 0.17 0.07 -0.35 0.00 0.00 0.00 0.00 46.02 45.92 3hru n GLY 88 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 3hru s TYR 89 N -2.88 2.14 0.18 1.61 1.51 -0.66 -4.95 117.35 114.30 3hru s TYR 89 Ca 0.46 1.55 0.05 0.00 -1.01 0.00 0.00 57.07 58.11 3hru s TYR 89 Cb -0.25 -3.54 -0.04 0.00 -0.11 0.00 0.00 41.96 38.03 3hru s TYR 89 CO 0.56 -2.61 0.19 0.95 -1.11 0.00 0.00 175.55 173.53 3hru s THR 90 N -1.73 4.68 0.31 -0.71 -4.23 -1.26 -4.69 115.64 108.00 3hru s THR 90 Ca 0.77 -1.07 0.03 0.00 -1.18 0.00 0.00 61.69 60.25 3hru s THR 90 Cb -0.32 -3.43 0.38 0.00 1.34 0.00 0.00 72.50 70.47 3hru s THR 90 CO 0.41 -0.17 1.59 0.74 -0.54 0.00 0.00 174.62 176.65 3hru h THR 91 N 1.80 0.09 -0.44 3.99 2.02 -1.99 0.55 112.91 118.93 3hru h THR 91 Ca -0.48 -0.02 -0.10 0.00 0.77 0.00 0.00 66.41 66.58 3hru h THR 91 Cb 1.21 0.04 -0.01 0.00 -1.74 0.00 0.00 68.15 67.64 3hru h THR 91 CO 0.63 0.01 -0.13 -0.08 0.37 0.00 0.00 175.52 176.33 3hru h GLU 92 N 0.05 0.87 -0.42 6.66 4.81 -1.99 -2.48 114.58 122.07 3hru h GLU 92 Ca 0.61 -0.34 -0.08 0.00 -0.13 0.00 0.00 59.36 59.42 3hru h GLU 92 Cb 1.29 -0.04 -0.02 0.00 0.63 0.00 0.00 28.75 30.61 3hru h GLU 92 CO -0.84 0.98 -0.06 0.93 -0.73 0.00 0.00 179.01 179.29 3hru h GLU 93 N 0.70 0.72 -0.58 1.92 5.08 -0.39 -2.10 114.58 119.93 3hru h GLU 93 Ca 0.11 -0.21 -0.11 0.00 -1.00 0.00 0.00 59.36 58.15 3hru h GLU 93 Cb 0.67 -0.08 -0.02 0.00 0.50 0.00 0.00 28.75 29.83 3hru h GLU 93 CO 0.05 0.78 -0.06 0.82 -1.00 0.00 0.00 179.01 179.60 3hru h ILE 94 N 0.67 1.27 -0.24 3.13 2.04 -0.89 -2.30 117.51 121.18 3hru h ILE 94 Ca 0.12 -1.22 0.04 0.00 1.00 0.00 0.00 64.86 64.81 3hru h ILE 94 Cb 0.50 0.88 -0.01 0.00 -0.74 0.00 0.00 36.82 37.45 3hru h ILE 94 CO 0.03 0.44 0.17 -0.74 0.00 0.00 0.00 178.15 178.04 3hru h HIS 95 N 0.95 0.13 0.00 1.37 2.76 -0.92 -0.82 115.15 118.63 3hru h HIS 95 Ca 0.16 0.00 0.00 0.00 -2.20 0.00 0.00 60.37 58.33 3hru h HIS 95 Cb 0.63 -0.04 0.00 0.00 1.55 0.00 0.00 27.41 29.54 3hru h HIS 95 CO 0.04 0.08 -0.93 0.93 -1.30 0.00 0.00 177.93 176.75 3hru h GLU 96 N 0.14 0.00 0.00 5.26 5.08 -1.11 -3.44 114.58 120.51 3hru h GLU 96 Ca 0.11 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.47 3hru h GLU 96 Cb 0.26 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hru h GLU 96 CO -0.01 0.00 -0.53 0.39 -1.00 0.00 0.00 179.01 177.86 3hru n GLU 97 N -2.71 0.84 -0.34 2.33 1.02 -0.89 -4.83 120.64 116.06 3hru n GLU 97 Ca 0.00 0.00 0.15 0.00 -0.02 0.00 0.00 57.16 57.29 3hru n GLU 97 Cb 0.55 -0.76 0.34 0.00 -0.02 0.00 0.00 31.44 31.55 3hru n GLU 97 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 3hru h ALA 98 N 0.00 1.65 -0.34 0.62 0.00 -1.36 -2.89 119.26 116.95 3hru h ALA 98 Ca 0.00 0.12 -0.09 0.00 0.00 0.00 0.00 54.91 54.93 3hru h ALA 98 Cb 0.53 0.02 -0.01 0.00 0.00 0.00 0.00 17.79 18.32 3hru h ALA 98 CO 0.00 -0.22 -0.16 1.49 0.00 0.00 0.00 179.25 180.36 3hru h GLU 99 N 0.59 0.70 0.00 0.00 4.81 -1.87 -2.92 114.58 115.89 3hru h GLU 99 Ca 0.60 -0.30 -0.05 0.00 -0.13 0.00 0.00 59.36 59.48 3hru h GLU 99 Cb 1.08 -0.02 -0.01 0.00 0.63 0.00 0.00 28.75 30.43 3hru h GLU 99 CO -0.46 0.90 -0.23 -0.39 -0.73 0.00 0.00 179.01 178.11 3hru h VAL 100 N 0.47 0.65 -0.12 0.32 -1.51 -1.84 -2.35 116.25 111.87 3hru h VAL 100 Ca 0.08 -1.03 -0.20 0.00 -1.23 0.00 0.00 66.70 64.31 3hru h VAL 100 Cb 0.69 1.67 0.00 0.00 -2.13 0.00 0.00 31.29 31.52 3hru h VAL 100 CO 0.05 0.22 -0.75 -0.07 -1.23 0.00 0.00 177.57 175.79 3hru h LEU 101 N 0.00 0.70 -0.98 4.19 4.07 -1.52 -3.13 115.31 118.64 3hru h LEU 101 Ca -0.00 -0.45 0.04 0.00 0.08 0.00 0.00 57.88 57.54 3hru h LEU 101 Cb 0.65 -0.21 -0.06 0.00 1.08 0.00 0.00 40.66 42.13 3hru h LEU 101 CO 0.03 1.22 0.64 -0.33 -1.08 0.00 0.00 178.44 178.92 3hru h GLU 102 N 0.40 1.19 0.00 1.13 5.08 -1.24 0.17 114.58 121.30 3hru h GLU 102 Ca -0.04 -0.07 0.00 0.00 -1.00 0.00 0.00 59.36 58.25 3hru h GLU 102 Cb 1.35 -0.27 0.00 0.00 0.50 0.00 0.00 28.75 30.33 3hru h GLU 102 CO 0.14 0.79 0.00 0.72 -1.00 0.00 0.00 179.01 179.66 3hru n HIS 103 N -4.47 0.00 0.05 4.33 8.25 -1.04 -4.25 115.22 118.09 3hru n HIS 103 Ca 0.13 0.00 0.00 0.00 -0.26 0.00 0.00 57.72 57.59 3hru n HIS 103 Cb 0.11 0.00 0.00 0.00 1.12 0.00 0.00 29.99 31.22 3hru n HIS 103 CO 0.00 0.00 0.00 2.41 0.64 0.00 0.00 176.34 179.39 3hru n THR 104 N -0.85 0.42 -1.75 1.59 -1.04 -0.58 -5.08 114.28 107.00 3hru n THR 104 Ca 0.13 0.14 -0.40 0.00 -2.04 0.00 0.00 64.05 61.88 3hru n THR 104 Cb 0.06 -1.15 0.02 0.00 -1.82 0.00 0.00 70.33 67.44 3hru n THR 104 CO 0.00 0.00 0.00 1.33 -0.64 0.00 0.00 175.07 175.76 3hru n VAL 105 N -3.19 2.80 -0.45 12.58 0.24 0.48 -5.00 118.33 125.79 3hru n VAL 105 Ca 0.00 -0.50 -0.19 0.00 -2.04 0.00 0.00 64.34 61.61 3hru n VAL 105 Cb 0.14 -1.79 0.18 0.00 -1.47 0.00 0.00 33.84 30.90 3hru n VAL 105 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 3hru n SER 106 N -0.15 -2.67 0.11 -1.34 3.41 -1.26 -4.91 113.62 106.81 3hru n SER 106 Ca 0.06 -0.72 0.12 0.00 -0.26 0.00 0.00 58.87 58.06 3hru n SER 106 Cb 0.41 -0.64 0.01 0.00 -0.26 0.00 0.00 64.21 63.72 3hru n SER 106 CO 0.00 0.00 0.00 0.44 -0.16 0.00 0.00 175.04 175.32 3hru h ASP 107 N -2.65 0.00 -0.45 4.04 3.32 -1.99 -3.23 116.42 115.46 3hru h ASP 107 Ca -0.26 -0.00 -0.07 0.00 0.02 0.00 0.00 57.03 56.72 3hru h ASP 107 Cb 0.83 0.00 -0.02 0.00 0.22 0.00 0.00 39.33 40.37 3hru h ASP 107 CO 0.16 0.00 0.01 -0.74 -1.72 0.00 0.00 179.24 176.95 3hru h HIS 108 N 0.00 0.86 0.47 4.55 -0.00 -1.97 0.28 115.15 119.34 3hru h HIS 108 Ca 0.00 -0.15 -0.01 0.00 -0.00 0.00 0.00 60.37 60.21 3hru h HIS 108 Cb 1.00 -0.22 -0.02 0.00 -0.00 0.00 0.00 27.41 28.16 3hru h HIS 108 CO 0.00 0.83 -0.44 0.35 -0.00 0.00 0.00 177.93 178.67 3hru h PHE 109 N 0.64 -1.21 -0.97 5.26 3.57 -1.93 0.90 116.94 123.19 3hru h PHE 109 Ca 0.13 0.01 0.15 0.00 3.53 0.00 0.00 57.97 61.78 3hru h PHE 109 Cb 0.49 0.47 -0.09 0.00 2.79 0.00 0.00 35.95 39.60 3hru h PHE 109 CO 0.04 -0.61 0.59 0.28 -2.23 0.00 0.00 178.31 176.38 3hru h VAL 110 N -0.92 0.82 0.00 1.41 2.07 -1.54 0.61 116.25 118.70 3hru h VAL 110 Ca -0.05 -0.30 -0.03 0.00 0.82 0.00 0.00 66.70 67.14 3hru h VAL 110 Cb 0.80 -0.11 -0.00 0.00 -1.52 0.00 0.00 31.29 30.45 3hru h VAL 110 CO -0.05 0.16 -0.16 -0.08 0.02 0.00 0.00 177.57 177.46 3hru h GLU 111 N 0.86 0.00 0.08 1.57 4.57 0.48 -1.70 114.58 120.44 3hru h GLU 111 Ca 0.51 0.00 -0.37 0.00 -1.18 0.00 0.00 59.36 58.33 3hru h GLU 111 Cb 0.64 0.00 -0.04 0.00 -0.16 0.00 0.00 28.75 29.19 3hru h GLU 111 CO -0.32 0.16 -2.12 0.54 -1.18 0.00 0.00 179.01 176.09 3hru n ARG 112 N -3.46 0.72 -0.36 1.92 5.12 0.22 -3.52 116.66 117.30 3hru n ARG 112 Ca -0.01 0.22 0.07 0.00 -1.93 0.00 0.00 57.85 56.21 3hru n ARG 112 Cb 0.32 -1.66 0.24 0.00 -1.16 0.00 0.00 32.46 30.20 3hru n ARG 112 CO 0.00 0.00 0.00 1.25 -1.93 0.00 0.00 177.63 176.95 3hru h LEU 113 N 0.04 0.91 -0.73 0.55 6.46 0.25 0.73 115.31 123.53 3hru h LEU 113 Ca -0.46 0.05 -0.02 0.00 -0.12 0.00 0.00 57.88 57.32 3hru h LEU 113 Cb 2.01 -0.13 -0.03 0.00 -0.73 0.00 0.00 40.66 41.77 3hru h LEU 113 CO 0.04 0.48 0.36 -0.78 -0.62 0.00 0.00 178.44 177.92 3hru h ASP 114 N 0.98 0.94 -0.41 1.25 3.58 -1.42 0.13 116.42 121.47 3hru h ASP 114 Ca 0.50 -0.13 -0.08 0.00 0.42 0.00 0.00 57.03 57.74 3hru h ASP 114 Cb 0.49 -0.24 -0.02 0.00 1.72 0.00 0.00 39.33 41.28 3hru h ASP 114 CO -0.27 0.81 -0.02 -0.61 -2.88 0.00 0.00 179.24 176.27 3hru h GLN 115 N 1.01 0.82 -0.48 0.28 4.15 -1.06 -0.40 115.11 119.44 3hru h GLN 115 Ca 0.25 -0.23 -0.09 0.00 0.77 0.00 0.00 58.65 59.35 3hru h GLN 115 Cb 0.11 -0.09 -0.02 0.00 0.21 0.00 0.00 27.48 27.69 3hru h GLN 115 CO -0.03 0.84 -0.04 1.25 -1.93 0.00 0.00 178.83 178.91 3hru h LEU 116 N 0.76 0.87 0.00 -2.39 5.85 -0.39 -2.50 115.31 117.52 3hru h LEU 116 Ca 0.14 -0.33 0.00 0.00 0.84 0.00 0.00 57.88 58.53 3hru h LEU 116 Cb 0.49 -0.24 0.00 0.00 0.37 0.00 0.00 40.66 41.28 3hru h LEU 116 CO 0.02 0.99 0.00 0.18 -0.34 0.00 0.00 178.44 179.30 3hru n LEU 117 N -4.30 0.00 -3.62 2.25 4.77 -0.02 -4.89 117.00 111.20 3hru n LEU 117 Ca 0.00 0.00 -0.21 0.00 -0.03 0.00 0.00 56.01 55.77 3hru n LEU 117 Cb 0.34 0.00 0.06 0.00 -2.33 0.00 0.00 43.42 41.49 3hru n LEU 117 CO 0.43 0.00 0.05 -0.67 -1.33 0.00 0.00 177.39 175.87 3hru n ASP 118 N -0.70 -2.49 -3.73 -1.43 -0.08 -0.94 -3.94 116.55 103.24 3hru n ASP 118 Ca 0.09 -0.71 -0.24 0.00 -1.51 0.00 0.00 54.79 52.42 3hru n ASP 118 Cb 0.04 -4.53 0.00 0.00 2.34 0.00 0.00 41.12 38.97 3hru n ASP 118 CO 0.00 0.00 0.00 -1.22 0.12 0.00 0.00 177.20 176.10 3hru n TYR 119 N -4.36 -2.08 -2.40 -0.67 4.02 -0.18 -4.89 117.16 106.60 3hru n TYR 119 Ca -0.22 0.77 -0.41 0.00 -0.01 0.00 0.00 57.90 58.03 3hru n TYR 119 Cb 0.64 -2.97 -0.04 0.00 -0.02 0.00 0.00 39.34 36.95 3hru n TYR 119 CO 0.00 0.00 0.00 -1.25 -1.01 0.00 0.00 176.86 174.60 3hru s PRO 120 N -5.02 4.53 -0.06 -0.72 0.04 -1.25 -4.94 135.00 127.57 3hru s PRO 120 Ca 0.08 1.85 0.10 0.00 0.04 0.00 0.00 61.00 63.07 3hru s PRO 120 Cb -0.04 -3.23 0.39 0.00 0.04 0.00 0.00 34.50 31.67 3hru s PRO 120 CO 0.88 -0.00 1.24 1.63 0.04 0.00 0.00 177.00 180.79 3hru n LYS 121 N 2.12 2.44 -3.65 4.56 5.02 -1.26 -4.68 118.16 122.72 3hru n LYS 121 Ca 0.03 -1.55 -0.01 0.00 -2.02 0.00 0.00 58.31 54.76 3hru n LYS 121 Cb 0.45 -1.58 -0.07 0.00 -0.02 0.00 0.00 35.03 33.81 3hru n LYS 121 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 3hru s ALA 122 N -1.68 -2.41 0.93 7.82 0.00 -1.26 -3.13 121.76 122.03 3hru s ALA 122 Ca 0.28 1.86 -0.13 0.00 0.00 0.00 0.00 51.96 53.97 3hru s ALA 122 Cb 0.18 -1.85 0.15 0.00 0.00 0.00 0.00 23.12 21.60 3hru s ALA 122 CO 0.14 -0.22 1.15 0.00 0.00 0.00 0.00 175.76 176.83 3hru h PRO 124 N -1.56 0.00 -0.74 0.00 0.11 -1.89 -2.55 132.00 125.37 3hru h PRO 124 Ca -0.50 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.61 3hru h PRO 124 Cb 1.32 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.43 3hru h PRO 124 CO 0.59 0.00 0.00 0.72 -0.21 0.00 0.00 178.00 179.10 3hru n HIS 125 N -2.83 0.63 0.00 0.65 8.25 -1.26 -4.88 115.22 115.77 3hru n HIS 125 Ca -0.00 -0.23 0.00 0.00 -0.26 0.00 0.00 57.72 57.23 3hru n HIS 125 Cb 0.20 -0.19 0.00 0.00 1.12 0.00 0.00 29.99 31.12 3hru n HIS 125 CO 0.00 0.00 0.00 0.41 0.64 0.00 0.00 176.34 177.39 3hru n GLY 126 N 0.35 3.01 3.71 -1.41 0.00 -0.96 -1.31 105.19 108.59 3hru n GLY 126 Ca 0.09 0.00 -0.42 0.00 0.00 0.00 0.00 46.02 45.69 3hru n GLY 126 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 3hru n GLY 127 N -2.00 1.60 3.88 -0.02 0.00 -1.26 -4.75 105.19 102.64 3hru n GLY 127 Ca 0.00 0.65 -0.30 0.00 0.00 0.00 0.00 46.02 46.37 3hru n GLY 127 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 3hru s THR 128 N 1.69 4.79 -0.32 2.61 -1.32 -1.26 -0.60 115.64 121.23 3hru s THR 128 Ca 0.77 0.59 0.02 0.00 -1.21 0.00 0.00 61.69 61.86 3hru s THR 128 Cb -0.49 -3.75 0.08 0.00 -1.51 0.00 0.00 72.50 66.84 3hru s THR 128 CO 0.34 -0.56 0.02 -0.63 -2.21 0.00 0.00 174.62 171.57 3hru s ILE 129 N -2.42 2.50 0.63 5.08 1.01 -1.18 -4.81 121.20 122.01 3hru s ILE 129 Ca 0.51 -1.95 -0.16 0.00 0.00 0.00 0.00 60.65 59.04 3hru s ILE 129 Cb -0.10 -2.66 -0.01 0.00 0.01 0.00 0.00 42.46 39.69 3hru s ILE 129 CO 0.33 -0.37 1.14 -2.16 0.00 0.00 0.00 174.94 173.87 3hru s PRO 130 N 1.05 2.88 0.98 2.79 0.04 -1.26 -4.75 135.00 136.73 3hru s PRO 130 Ca 0.02 1.53 -0.11 0.00 0.04 0.00 0.00 61.00 62.49 3hru s PRO 130 Cb -0.20 -1.95 0.18 0.00 0.04 0.00 0.00 34.50 32.57 3hru s PRO 130 CO -0.06 -1.21 1.10 0.00 0.04 0.00 0.00 177.00 176.88 3hru n ALA 131 N -2.08 -1.35 -1.78 8.56 0.00 -1.26 -4.85 120.51 117.74 3hru n ALA 131 Ca 0.11 -0.71 -0.42 0.00 0.00 0.00 0.00 53.44 52.42 3hru n ALA 131 Cb 0.51 -2.14 -0.03 0.00 0.00 0.00 0.00 19.45 17.79 3hru n ALA 131 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 3hru s LYS 132 N -4.56 4.16 0.00 0.00 2.20 -1.26 -2.32 119.74 117.95 3hru s LYS 132 Ca 0.67 2.51 0.00 0.00 -0.36 0.00 0.00 55.97 58.79 3hru s LYS 132 Cb -0.24 -3.78 0.00 0.00 -1.51 0.00 0.00 37.83 32.31 3hru s LYS 132 CO 0.60 -0.85 0.00 0.41 -0.36 0.00 0.00 175.35 175.15 3hru n GLY 133 N 4.25 1.96 3.79 5.54 0.00 -1.26 -5.02 105.19 114.45 3hru n GLY 133 Ca 0.18 0.00 -0.37 0.00 0.00 0.00 0.00 46.02 45.83 3hru n GLY 133 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 3hru s GLU 134 N -0.24 4.52 0.36 1.61 2.12 -0.98 -5.03 118.70 121.07 3hru s GLU 134 Ca 0.00 1.25 -0.26 0.00 0.36 0.00 0.00 54.97 56.31 3hru s GLU 134 Cb 0.00 -2.81 -0.09 0.00 0.26 0.00 0.00 34.13 31.49 3hru s GLU 134 CO 0.00 0.30 1.09 -0.51 -0.54 0.00 0.00 175.26 175.60 3hru s LEU 135 N -2.05 4.29 0.03 2.70 2.01 -1.26 -4.71 118.68 119.70 3hru s LEU 135 Ca 0.49 2.19 -0.30 0.00 0.01 0.00 0.00 54.13 56.51 3hru s LEU 135 Cb -0.18 -3.96 -0.07 0.00 0.01 0.00 0.00 46.19 41.99 3hru s LEU 135 CO 0.23 -0.42 1.50 -0.22 1.01 0.00 0.00 176.35 178.45 3hru s LEU 136 N -2.20 4.34 -0.33 1.79 2.96 -1.26 -4.92 118.68 119.05 3hru s LEU 136 Ca 0.53 2.27 -0.01 0.00 -0.22 0.00 0.00 54.13 56.70 3hru s LEU 136 Cb -0.27 -3.56 0.11 0.00 0.50 0.00 0.00 46.19 42.96 3hru s LEU 136 CO 0.35 -0.79 0.14 -0.69 -1.32 0.00 0.00 176.35 174.04 3hru s VAL 137 N 2.46 0.59 0.36 1.68 1.01 -1.26 -5.06 120.40 120.18 3hru s VAL 137 Ca 0.68 -1.43 -0.26 0.00 0.00 0.00 0.00 61.98 60.97 3hru s VAL 137 Cb -0.35 -1.45 -0.12 0.00 0.00 0.00 0.00 36.38 34.46 3hru s VAL 137 CO 0.29 -0.76 1.07 -0.62 0.00 0.00 0.00 175.10 175.07 3hru n GLU 138 N 4.67 1.52 0.08 2.72 -0.58 -1.26 -4.87 120.64 122.93 3hru n GLU 138 Ca 0.00 0.54 -0.10 0.00 -0.42 0.00 0.00 57.16 57.18 3hru n GLU 138 Cb 0.40 -2.04 -0.02 0.00 -0.57 0.00 0.00 31.44 29.22 3hru n GLU 138 CO 0.00 0.00 0.00 -0.22 -0.48 0.00 0.00 177.13 176.43 3hru h LYS 139 N 1.90 0.25 -4.49 3.49 3.64 -1.95 -3.42 116.57 116.00 3hru h LYS 139 Ca -0.43 -0.28 -0.69 0.00 -1.27 0.00 0.00 60.65 57.98 3hru h LYS 139 Cb 1.33 0.08 -0.34 0.00 -0.41 0.00 0.00 32.23 32.88 3hru h LYS 139 CO 0.59 0.99 -0.55 -1.01 -2.27 0.00 0.00 179.45 177.20 3hru s HIS 140 N -3.22 3.59 -0.46 1.91 3.76 -1.26 -4.89 115.29 114.72 3hru s HIS 140 Ca -0.04 -2.41 0.15 0.00 -0.15 0.00 0.00 55.06 52.62 3hru s HIS 140 Cb 0.10 -3.21 -0.19 0.00 1.11 0.00 0.00 32.58 30.39 3hru s HIS 140 CO 0.84 -0.97 0.53 1.63 -0.85 0.00 0.00 174.74 175.92 3hru n LYS 141 N 4.59 1.43 -2.57 1.40 4.76 -1.26 -4.92 118.16 121.59 3hru n LYS 141 Ca -0.02 -0.05 -0.41 0.00 -2.87 0.00 0.00 58.31 54.95 3hru n LYS 141 Cb 0.41 -1.27 -0.03 0.00 -1.84 0.00 0.00 35.03 32.30 3hru n LYS 141 CO 0.00 0.00 0.00 -1.17 -1.37 0.00 0.00 177.40 174.86 3hru s LEU 142 N -3.22 3.30 0.57 -0.35 1.98 -1.26 -5.00 118.68 114.69 3hru s LEU 142 Ca 0.01 -0.66 -0.09 0.00 -2.89 0.00 0.00 54.13 50.51 3hru s LEU 142 Cb 0.11 -2.55 -0.04 0.00 0.66 0.00 0.00 46.19 44.37 3hru s LEU 142 CO 0.63 -1.76 0.94 0.28 -1.89 0.00 0.00 176.35 174.55 3hru s THR 143 N 5.50 4.72 0.19 3.68 -1.32 -1.26 -0.70 115.64 126.46 3hru s THR 143 Ca 0.36 0.59 -0.09 0.00 -1.21 0.00 0.00 61.69 61.34 3hru s THR 143 Cb -0.07 -3.85 0.12 0.00 -1.51 0.00 0.00 72.50 67.19 3hru s THR 143 CO 0.10 -1.00 1.73 0.25 -2.21 0.00 0.00 174.62 173.49 3hru h LEU 144 N -0.12 1.02 -1.60 9.08 5.85 -1.16 -2.24 115.31 126.15 3hru h LEU 144 Ca -0.45 -0.20 -0.03 0.00 0.84 0.00 0.00 57.88 58.03 3hru h LEU 144 Cb 1.20 -0.27 -0.01 0.00 0.37 0.00 0.00 40.66 41.95 3hru h LEU 144 CO 0.62 0.95 -0.07 1.05 -0.34 0.00 0.00 178.44 180.65 3hru h GLU 145 N 1.03 0.17 -0.62 1.25 4.11 -1.84 0.93 114.58 119.62 3hru h GLU 145 Ca 0.23 -0.03 0.00 0.00 0.07 0.00 0.00 59.36 59.63 3hru h GLU 145 Cb 0.29 -0.03 0.00 0.00 0.50 0.00 0.00 28.75 29.51 3hru h GLU 145 CO -0.01 0.25 0.00 -0.85 0.07 0.00 0.00 179.01 178.47 3hru n GLU 146 N -4.36 3.01 -2.52 1.06 0.28 -0.95 -4.85 120.64 112.31 3hru n GLU 146 Ca -0.01 -2.12 -0.42 0.00 -0.16 0.00 0.00 57.16 54.44 3hru n GLU 146 Cb 0.20 -1.72 -0.02 0.00 1.43 0.00 0.00 31.44 31.33 3hru n GLU 146 CO 0.00 0.00 0.00 0.00 -0.16 0.00 0.00 177.13 176.97 3hru s ALA 147 N -1.75 3.01 0.00 -1.84 0.00 0.32 -4.87 121.76 116.64 3hru s ALA 147 Ca 0.38 -0.60 0.00 0.00 0.00 0.00 0.00 51.96 51.74 3hru s ALA 147 Cb 0.24 -4.00 0.00 0.00 0.00 0.00 0.00 23.12 19.37 3hru s ALA 147 CO 0.19 -2.56 0.71 1.63 0.00 0.00 0.00 175.76 175.73 3hru n LYS 148 N 8.26 0.00 -2.97 0.00 5.02 -1.26 -4.88 118.16 122.32 3hru n LYS 148 Ca 0.11 0.36 -0.31 0.00 -2.02 0.00 0.00 58.31 56.46 3hru n LYS 148 Cb 0.49 -1.27 -0.04 0.00 -0.02 0.00 0.00 35.03 34.19 3hru n LYS 148 CO 0.00 0.00 0.00 -1.83 -0.52 0.00 0.00 177.40 175.05 3hru s GLU 149 N -2.14 3.80 0.67 1.97 -1.05 -1.26 -4.98 118.70 115.71 3hru s GLU 149 Ca 0.00 0.45 -0.11 0.00 -0.15 0.00 0.00 54.97 55.16 3hru s GLU 149 Cb 0.00 -2.43 0.00 0.00 -0.44 0.00 0.00 34.13 31.26 3hru s GLU 149 CO 0.00 0.03 1.05 0.15 0.95 0.00 0.00 175.26 177.45 3hru s LYS 150 N -3.64 3.03 0.00 -4.83 3.01 -1.26 -4.99 119.74 111.06 3hru s LYS 150 Ca 0.51 0.46 0.00 0.00 -1.01 0.00 0.00 55.97 55.93 3hru s LYS 150 Cb -0.10 -2.07 0.00 0.00 -1.01 0.00 0.00 37.83 34.65 3hru s LYS 150 CO 0.28 -0.88 0.00 0.41 0.51 0.00 0.00 175.35 175.67 3hru n GLY 151 N -2.89 0.64 3.77 -3.33 0.00 -1.03 -4.98 105.19 97.38 3hru n GLY 151 Ca 0.06 -1.84 -0.38 0.00 0.00 0.00 0.00 46.02 43.86 3hru n GLY 151 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 3hru s ASP 152 N -4.00 6.89 -0.07 1.61 1.11 -1.26 -0.17 116.67 120.78 3hru s ASP 152 Ca 0.00 1.06 -0.03 0.00 0.18 0.00 0.00 52.55 53.76 3hru s ASP 152 Cb 0.00 -2.33 0.04 0.00 1.07 0.00 0.00 42.92 41.70 3hru s ASP 152 CO 0.00 0.13 0.16 -0.31 1.18 0.00 0.00 175.17 176.32 3hru s TYR 153 N -0.21 -0.18 -0.14 4.23 1.51 0.21 -1.87 117.35 120.89 3hru s TYR 153 Ca 0.29 0.54 -0.29 0.00 -1.01 0.00 0.00 57.07 56.59 3hru s TYR 153 Cb -0.17 -0.11 -0.02 0.00 -0.11 0.00 0.00 41.96 41.55 3hru s TYR 153 CO 0.15 -0.19 1.23 0.42 -1.11 0.00 0.00 175.55 176.04 3hru s ILE 154 N 1.41 4.32 -0.74 2.71 1.01 -0.92 0.14 121.20 129.13 3hru s ILE 154 Ca -0.07 1.60 -0.26 0.00 0.00 0.00 0.00 60.65 61.92 3hru s ILE 154 Cb -0.12 -4.03 -0.00 0.00 0.01 0.00 0.00 42.46 38.32 3hru s ILE 154 CO -0.06 -0.11 1.66 -0.22 0.00 0.00 0.00 174.94 176.21 3hru s LEU 155 N 3.16 3.25 -0.03 2.97 2.96 -0.46 -1.67 118.68 128.86 3hru s LEU 155 Ca 0.54 -0.24 0.08 0.00 -0.22 0.00 0.00 54.13 54.29 3hru s LEU 155 Cb -0.22 -2.55 -0.24 0.00 0.50 0.00 0.00 46.19 43.69 3hru s LEU 155 CO 0.16 -2.18 0.72 0.00 -1.32 0.00 0.00 176.35 173.72 3hru h ALA 156 N 12.39 0.62 -2.60 5.97 0.00 -1.64 -0.09 119.26 133.91 3hru h ALA 156 Ca -0.17 -1.35 -0.12 0.00 0.00 0.00 0.00 54.91 53.27 3hru h ALA 156 Cb 1.09 0.42 -0.18 0.00 0.00 0.00 0.00 17.79 19.12 3hru h ALA 156 CO 1.26 1.46 -0.46 0.50 0.00 0.00 0.00 179.25 182.01 3hru s ARG 157 N -2.61 0.62 0.09 0.00 3.52 -1.02 -4.08 118.95 115.48 3hru s ARG 157 Ca -0.07 -0.67 -0.04 0.00 -0.13 0.00 0.00 55.73 54.82 3hru s ARG 157 Cb 0.08 0.25 -0.03 0.00 -1.56 0.00 0.00 34.95 33.69 3hru s ARG 157 CO 0.82 -0.17 0.08 0.14 -0.81 0.00 0.00 175.30 175.37 3hru s VAL 158 N -2.48 0.15 0.47 7.11 -7.23 -0.42 -0.27 120.40 117.73 3hru s VAL 158 Ca -0.06 -1.63 -0.19 0.00 -1.81 0.00 0.00 61.98 58.30 3hru s VAL 158 Cb -0.02 -1.64 -0.09 0.00 0.56 0.00 0.00 36.38 35.19 3hru s VAL 158 CO -0.04 -0.70 0.97 -1.00 -0.31 0.00 0.00 175.10 174.03 3hru s HIS 159 N -3.94 3.35 0.19 2.82 0.09 -1.22 -4.73 115.29 111.84 3hru s HIS 159 Ca 0.12 1.54 -0.09 0.00 -0.00 0.00 0.00 55.06 56.63 3hru s HIS 159 Cb 0.06 -2.84 0.10 0.00 -0.00 0.00 0.00 32.58 29.91 3hru s HIS 159 CO -0.06 -0.28 1.72 -0.44 -0.00 0.00 0.00 174.74 175.68 3hru h ASP 160 N 1.43 1.00 0.00 1.40 3.45 -1.97 -3.42 116.42 118.31 3hru h ASP 160 Ca -0.48 -0.22 0.00 0.00 0.43 0.00 0.00 57.03 56.76 3hru h ASP 160 Cb 1.18 -0.26 0.00 0.00 -0.56 0.00 0.00 39.33 39.69 3hru h ASP 160 CO 0.61 0.95 0.00 -3.20 -1.57 0.00 0.00 179.24 176.03 3hru n ASN 161 N -4.31 0.00 0.26 6.45 5.15 -1.26 -4.52 115.26 117.03 3hru n ASN 161 Ca 0.05 0.00 0.08 0.00 -0.60 0.00 0.00 54.58 54.10 3hru n ASN 161 Cb 0.23 0.00 0.62 0.00 -0.53 0.00 0.00 39.78 40.11 3hru n ASN 161 CO 0.00 0.00 0.00 0.15 1.40 0.00 0.00 177.26 178.81 3hru h PHE 162 N 0.00 0.00 -0.24 1.20 3.57 -1.97 0.25 116.94 119.75 3hru h PHE 162 Ca 0.00 0.00 -0.14 0.00 3.53 0.00 0.00 57.97 61.36 3hru h PHE 162 Cb 0.00 0.00 -0.00 0.00 2.79 0.00 0.00 35.95 38.74 3hru h PHE 162 CO 0.00 0.02 -0.40 -0.44 -2.23 0.00 0.00 178.31 175.26 3hru h ASP 163 N 0.00 0.76 -0.12 0.41 3.45 -1.98 -1.14 116.42 117.80 3hru h ASP 163 Ca -0.00 -0.53 -0.14 0.00 0.43 0.00 0.00 57.03 56.79 3hru h ASP 163 Cb 0.04 -0.22 -0.01 0.00 -0.56 0.00 0.00 39.33 38.58 3hru h ASP 163 CO 0.00 1.14 -0.41 0.25 -1.57 0.00 0.00 179.24 178.66 3hru h LEU 164 N 0.40 0.69 -0.40 1.55 5.85 -1.45 -2.32 115.31 119.64 3hru h LEU 164 Ca 0.02 -0.31 -0.17 0.00 0.84 0.00 0.00 57.88 58.25 3hru h LEU 164 Cb 0.99 -0.19 -0.00 0.00 0.37 0.00 0.00 40.66 41.83 3hru h LEU 164 CO 0.09 1.01 -0.54 0.25 -0.34 0.00 0.00 178.44 178.91 3hru h LEU 165 N 0.53 0.82 -0.12 2.25 5.85 -0.57 -0.57 115.31 123.51 3hru h LEU 165 Ca 0.04 -0.44 -0.00 0.00 0.84 0.00 0.00 57.88 58.32 3hru h LEU 165 Cb 0.93 -0.24 -0.01 0.00 0.37 0.00 0.00 40.66 41.72 3hru h LEU 165 CO 0.08 1.20 0.07 0.74 -0.34 0.00 0.00 178.44 180.20 3hru h THR 166 N 0.57 1.07 -0.53 1.05 2.02 -1.14 -1.65 112.91 114.29 3hru h THR 166 Ca 0.01 -0.18 0.09 0.00 0.77 0.00 0.00 66.41 67.11 3hru h THR 166 Cb 1.12 0.97 -0.08 0.00 -1.74 0.00 0.00 68.15 68.42 3hru h THR 166 CO 0.11 0.06 0.10 0.22 0.37 0.00 0.00 175.52 176.39 3hru h TYR 167 N 0.13 0.16 0.13 3.16 3.20 -1.14 -0.12 116.97 122.49 3hru h TYR 167 Ca 0.04 0.03 -0.01 0.00 3.14 0.00 0.00 58.73 61.94 3hru h TYR 167 Cb 0.04 0.01 0.00 0.00 1.54 0.00 0.00 36.73 38.32 3hru h TYR 167 CO -0.05 -0.02 -0.06 -0.07 -1.64 0.00 0.00 178.16 176.31 3hru h LEU 168 N 0.24 -0.14 -1.87 2.82 3.38 -0.82 -2.83 115.31 116.09 3hru h LEU 168 Ca 0.27 -0.08 -0.02 0.00 0.09 0.00 0.00 57.88 58.14 3hru h LEU 168 Cb 0.38 0.04 -0.00 0.00 0.09 0.00 0.00 40.66 41.17 3hru h LEU 168 CO -0.36 -0.01 -0.08 -0.33 0.09 0.00 0.00 178.44 177.76 3hru h GLU 169 N -0.27 0.00 -1.77 1.13 5.08 -0.97 -0.10 114.58 117.68 3hru h GLU 169 Ca -0.02 0.00 -0.18 0.00 -1.00 0.00 0.00 59.36 58.17 3hru h GLU 169 Cb 0.22 0.00 -0.07 0.00 0.50 0.00 0.00 28.75 29.40 3hru h GLU 169 CO 0.03 0.08 0.20 -2.13 -1.00 0.00 0.00 179.01 176.19 3hru n ARG 170 N -4.40 1.46 0.00 2.33 0.63 -0.09 -2.69 116.66 113.91 3hru n ARG 170 Ca -0.03 -0.86 0.00 0.00 -0.92 0.00 0.00 57.85 56.05 3hru n ARG 170 Cb 0.16 -1.36 0.00 0.00 0.45 0.00 0.00 32.46 31.71 3hru n ARG 170 CO 0.00 0.00 0.00 0.09 -2.51 0.00 0.00 177.63 175.21 3hru n ASN 171 N 0.95 0.00 -3.87 6.15 5.03 -0.81 -4.94 115.26 117.78 3hru n ASN 171 Ca 0.17 -0.11 -0.29 0.00 0.87 0.00 0.00 54.58 55.22 3hru n ASN 171 Cb 0.55 0.00 0.03 0.00 -1.02 0.00 0.00 39.78 39.34 3hru n ASN 171 CO 0.00 0.00 0.00 0.61 -1.83 0.00 0.00 177.26 176.04 3hru n GLY 172 N 0.00 -0.47 3.60 7.41 0.00 -0.63 -4.96 105.19 110.14 3hru n GLY 172 Ca 0.00 0.19 -0.38 0.00 0.00 0.00 0.00 46.02 45.83 3hru n GLY 172 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 3hru s LEU 173 N -7.21 4.03 0.05 0.99 1.43 -0.15 -4.99 118.68 112.84 3hru s LEU 173 Ca 0.57 0.01 0.02 0.00 -1.03 0.00 0.00 54.13 53.70 3hru s LEU 173 Cb -0.28 -2.13 -0.03 0.00 0.03 0.00 0.00 46.19 43.79 3hru s LEU 173 CO 0.82 -0.04 -0.08 -1.58 0.23 0.00 0.00 176.35 175.70 3hru s GLN 174 N 1.69 0.56 0.22 1.70 0.74 -1.26 -3.96 119.66 119.36 3hru s GLN 174 Ca 0.07 -0.81 -0.30 0.00 0.05 0.00 0.00 55.36 54.37 3hru s GLN 174 Cb -0.16 -0.30 -0.09 0.00 1.10 0.00 0.00 33.01 33.56 3hru s GLN 174 CO 0.10 0.05 1.28 0.08 -0.55 0.00 0.00 175.29 176.25 3hru s VAL 175 N -1.57 3.21 0.00 1.34 1.01 -1.26 -2.17 120.40 120.95 3hru s VAL 175 Ca -0.08 1.03 0.00 0.00 0.00 0.00 0.00 61.98 62.94 3hru s VAL 175 Cb -0.09 -3.66 0.00 0.00 0.00 0.00 0.00 36.38 32.63 3hru s VAL 175 CO 0.00 0.17 0.00 0.61 0.00 0.00 0.00 175.10 175.88 3hru n GLY 176 N 2.06 0.74 3.85 4.51 0.00 -0.05 -5.04 105.19 111.25 3hru n GLY 176 Ca 0.05 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.75 3hru n GLY 176 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 3hru s LYS 177 N -0.53 3.99 -0.03 1.61 1.02 -0.92 -4.85 119.74 120.03 3hru s LYS 177 Ca 0.00 0.83 -0.23 0.00 0.02 0.00 0.00 55.97 56.59 3hru s LYS 177 Cb 0.00 -2.26 -0.04 0.00 -0.52 0.00 0.00 37.83 35.00 3hru s LYS 177 CO 0.00 -0.07 0.70 0.99 -0.92 0.00 0.00 175.35 176.04 3hru s THR 178 N -2.33 4.96 -0.06 2.17 2.01 -1.26 -1.36 115.64 119.77 3hru s THR 178 Ca 0.57 1.45 0.05 0.00 0.31 0.00 0.00 61.69 64.07 3hru s THR 178 Cb -0.10 -4.04 -0.00 0.00 0.01 0.00 0.00 72.50 68.37 3hru s THR 178 CO 0.24 0.30 -0.21 -0.63 -0.69 0.00 0.00 174.62 173.63 3hru s ILE 179 N 0.47 1.78 -0.34 1.82 -1.09 0.38 -4.70 121.20 119.51 3hru s ILE 179 Ca 0.37 -0.89 -0.12 0.00 -2.23 0.00 0.00 60.65 57.77 3hru s ILE 179 Cb -0.18 -1.52 -0.01 0.00 -1.58 0.00 0.00 42.46 39.16 3hru s ILE 179 CO 0.19 0.50 0.22 -0.13 -1.23 0.00 0.00 174.94 174.49 3hru s ARG 180 N 0.08 3.42 -0.69 2.79 0.52 -0.49 0.67 118.95 125.25 3hru s ARG 180 Ca -0.08 -0.69 -0.22 0.00 -0.52 0.00 0.00 55.73 54.22 3hru s ARG 180 Cb -0.14 -3.75 0.08 0.00 0.52 0.00 0.00 34.95 31.65 3hru s ARG 180 CO 0.04 -0.46 0.98 0.12 0.02 0.00 0.00 175.30 176.01 3hru s PHE 181 N 1.69 2.73 0.24 -0.53 5.36 0.76 -0.91 117.98 127.31 3hru s PHE 181 Ca 0.06 -0.66 0.16 0.00 -0.96 0.00 0.00 56.93 55.52 3hru s PHE 181 Cb -0.17 -4.29 0.61 0.00 -0.34 0.00 0.00 43.02 38.83 3hru s PHE 181 CO 0.09 -1.62 1.72 -0.07 -1.46 0.00 0.00 175.22 173.88 3hru h LEU 182 N 11.22 0.00 0.00 6.12 3.38 -1.35 -2.72 115.31 131.97 3hru h LEU 182 Ca -0.24 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.73 3hru h LEU 182 Cb 1.07 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.82 3hru h LEU 182 CO 1.18 0.44 0.00 0.61 0.09 0.00 0.00 178.44 180.76 3hru n GLY 183 N 0.11 3.29 3.69 0.83 0.00 -1.21 -4.91 105.19 106.99 3hru n GLY 183 Ca -0.01 -1.84 -0.37 0.00 0.00 0.00 0.00 46.02 43.80 3hru n GLY 183 CO 0.00 0.00 0.00 2.98 0.00 0.00 0.00 173.32 176.30 3hru n TYR 184 N -0.88 1.52 -4.37 1.61 -0.00 -1.26 -3.26 117.16 110.52 3hru n TYR 184 Ca 0.00 0.42 -0.34 0.00 -0.00 0.00 0.00 57.90 57.98 3hru n TYR 184 Cb 0.00 -2.22 -0.09 0.00 -0.00 0.00 0.00 39.34 37.03 3hru n TYR 184 CO 0.00 0.00 0.00 0.34 -0.00 0.00 0.00 176.86 177.20 3hru s ASP 185 N -1.36 5.16 0.01 2.98 -1.08 -0.33 -4.96 116.67 117.09 3hru s ASP 185 Ca 0.81 0.09 -0.19 0.00 -0.52 0.00 0.00 52.55 52.73 3hru s ASP 185 Cb -0.39 -1.41 -0.24 0.00 -1.46 0.00 0.00 42.92 39.42 3hru s ASP 185 CO 0.42 0.35 1.11 0.44 0.52 0.00 0.00 175.17 178.01 3hru h ASP 186 N 4.92 0.59 0.01 -0.34 5.19 -1.96 -2.97 116.42 121.86 3hru h ASP 186 Ca -0.50 -0.76 -0.41 0.00 -0.62 0.00 0.00 57.03 54.74 3hru h ASP 186 Cb 1.19 -0.18 -0.06 0.00 0.18 0.00 0.00 39.33 40.45 3hru h ASP 186 CO 0.55 1.27 -2.42 0.33 -3.12 0.00 0.00 179.24 175.85 3hru n PHE 187 N -4.16 0.13 -0.32 4.55 -0.00 -1.26 -4.36 117.46 112.03 3hru n PHE 187 Ca -0.10 0.04 0.21 0.00 -0.00 0.00 0.00 57.45 57.59 3hru n PHE 187 Cb 0.71 -1.02 0.42 0.00 -0.00 0.00 0.00 39.48 39.59 3hru n PHE 187 CO 0.00 0.00 0.00 1.03 -0.00 0.00 0.00 176.76 177.79 3hru h SER 188 N -0.42 0.32 -5.41 -2.13 0.87 -2.00 -3.45 113.55 101.33 3hru h SER 188 Ca -0.61 0.20 -0.31 0.00 -1.23 0.00 0.00 61.79 59.84 3hru h SER 188 Cb 1.78 0.19 0.16 0.00 -0.44 0.00 0.00 62.40 64.08 3hru h SER 188 CO -0.21 -0.16 -0.71 1.41 -0.53 0.00 0.00 176.83 176.63 3hru n HIS 189 N -5.12 -2.10 -4.00 2.24 8.25 -1.12 -5.02 115.22 108.35 3hru n HIS 189 Ca 0.29 0.88 -0.13 0.00 -0.26 0.00 0.00 57.72 58.50 3hru n HIS 189 Cb 0.90 -4.87 -0.13 0.00 1.12 0.00 0.00 29.99 27.00 3hru n HIS 189 CO 0.00 0.00 0.00 -0.51 0.64 0.00 0.00 176.34 176.47 3hru s LEU 190 N -6.14 2.07 -0.18 2.41 1.43 -1.26 -4.29 118.68 112.74 3hru s LEU 190 Ca 0.05 -0.17 -0.07 0.00 -1.03 0.00 0.00 54.13 52.91 3hru s LEU 190 Cb -0.02 -0.08 -0.04 0.00 0.03 0.00 0.00 46.19 46.08 3hru s LEU 190 CO 0.68 -0.05 0.06 -0.31 0.23 0.00 0.00 176.35 176.96 3hru s TYR 191 N -0.42 3.25 -0.22 0.29 2.02 0.47 -1.18 117.35 121.55 3hru s TYR 191 Ca -0.03 0.07 -0.13 0.00 -0.37 0.00 0.00 57.07 56.61 3hru s TYR 191 Cb -0.03 -2.06 -0.05 0.00 -0.40 0.00 0.00 41.96 39.42 3hru s TYR 191 CO -0.00 0.17 0.27 -1.12 -1.57 0.00 0.00 175.55 173.30 3hru s SER 192 N 0.29 6.27 -0.07 2.29 0.01 -1.20 -0.67 113.70 120.62 3hru s SER 192 Ca 0.03 0.31 0.03 0.00 1.31 0.00 0.00 55.95 57.63 3hru s SER 192 Cb -0.12 -2.16 0.01 0.00 0.21 0.00 0.00 66.02 63.95 3hru s SER 192 CO 0.00 0.01 -0.16 -0.76 0.41 0.00 0.00 173.24 172.74 3hru s LEU 193 N 1.11 1.80 -0.30 2.44 1.43 -0.33 -0.96 118.68 123.87 3hru s LEU 193 Ca 0.13 -0.38 -0.12 0.00 -1.03 0.00 0.00 54.13 52.73 3hru s LEU 193 Cb -0.14 -1.00 -0.04 0.00 0.03 0.00 0.00 46.19 45.04 3hru s LEU 193 CO 0.06 0.08 0.23 -0.70 0.23 0.00 0.00 176.35 176.25 3hru s GLU 194 N 0.49 3.77 -0.21 1.70 2.12 -0.09 -0.18 118.70 126.30 3hru s GLU 194 Ca -0.14 -0.41 -0.04 0.00 0.36 0.00 0.00 54.97 54.74 3hru s GLU 194 Cb -0.16 -3.72 0.07 0.00 0.26 0.00 0.00 34.13 30.58 3hru s GLU 194 CO 0.05 -0.30 0.08 0.54 -0.54 0.00 0.00 175.26 175.09 3hru s VAL 195 N 1.79 0.20 -0.54 3.70 0.11 0.13 -1.40 120.40 124.39 3hru s VAL 195 Ca 0.08 -0.50 -0.02 0.00 -2.93 0.00 0.00 61.98 58.61 3hru s VAL 195 Cb -0.16 -0.89 0.00 0.00 -1.53 0.00 0.00 36.38 33.80 3hru s VAL 195 CO 0.11 -0.36 0.47 0.47 -3.33 0.00 0.00 175.10 172.45 3hru n ASP 196 N 5.16 -3.15 -1.59 3.54 8.00 -1.26 -3.25 116.55 124.00 3hru n ASP 196 Ca -0.07 -0.24 -0.17 0.00 0.71 0.00 0.00 54.79 55.02 3hru n ASP 196 Cb 0.47 -2.42 -0.07 0.00 -0.02 0.00 0.00 41.12 39.08 3hru n ASP 196 CO 0.00 0.00 0.00 0.61 -0.39 0.00 0.00 177.20 177.42 3hru n GLY 197 N -1.11 1.38 3.21 0.44 0.00 -1.26 -4.95 105.19 102.91 3hru n GLY 197 Ca -0.04 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.66 3hru n GLY 197 CO 0.00 0.00 0.00 1.62 0.00 0.00 0.00 173.32 174.94 3hru s GLN 198 N -3.60 2.94 0.51 1.61 0.74 -1.20 -5.07 119.66 115.58 3hru s GLN 198 Ca 0.00 -0.86 -0.17 0.00 0.05 0.00 0.00 55.36 54.39 3hru s GLN 198 Cb 0.00 -2.24 -0.08 0.00 1.10 0.00 0.00 33.01 31.79 3hru s GLN 198 CO 0.00 0.19 0.99 -2.00 -0.55 0.00 0.00 175.29 173.91 3hru s GLU 199 N 0.32 3.94 -0.16 1.67 2.12 -1.26 0.19 118.70 125.52 3hru s GLU 199 Ca -0.18 0.97 -0.19 0.00 0.36 0.00 0.00 54.97 55.94 3hru s GLU 199 Cb -0.18 -2.13 0.05 0.00 0.26 0.00 0.00 34.13 32.13 3hru s GLU 199 CO 0.08 -0.27 0.51 -1.50 -0.54 0.00 0.00 175.26 173.54 3hru s ILE 200 N -2.60 0.01 -0.21 -3.70 2.07 0.75 -4.91 121.20 112.61 3hru s ILE 200 Ca 0.59 -0.05 -0.03 0.00 -1.41 0.00 0.00 60.65 59.75 3hru s ILE 200 Cb -0.10 -0.74 -0.01 0.00 0.13 0.00 0.00 42.46 41.75 3hru s ILE 200 CO 0.31 -0.03 -0.06 -1.10 -1.91 0.00 0.00 174.94 172.15 3hru s GLN 201 N -0.00 3.36 -0.10 3.50 -1.52 -1.26 -1.19 119.66 122.44 3hru s GLN 201 Ca -0.02 -0.64 -0.02 0.00 -1.95 0.00 0.00 55.36 52.73 3hru s GLN 201 Cb -0.03 -2.96 -0.03 0.00 -0.22 0.00 0.00 33.01 29.76 3hru s GLN 201 CO 0.02 -0.17 -0.00 -0.51 -0.25 0.00 0.00 175.29 174.38 3hru s LEU 202 N 1.39 3.53 0.85 2.90 1.43 0.15 -4.91 118.68 124.03 3hru s LEU 202 Ca 0.05 0.09 -0.12 0.00 -1.03 0.00 0.00 54.13 53.12 3hru s LEU 202 Cb -0.14 -1.82 0.11 0.00 0.03 0.00 0.00 46.19 44.36 3hru s LEU 202 CO -0.03 0.33 1.16 0.00 0.23 0.00 0.00 176.35 178.04 3hru s ALA 203 N -0.60 2.26 0.20 4.21 0.00 -1.26 -0.40 121.76 126.18 3hru s ALA 203 Ca 0.10 -0.59 -0.11 0.00 0.00 0.00 0.00 51.96 51.36 3hru s ALA 203 Cb -0.12 -2.99 0.16 0.00 0.00 0.00 0.00 23.12 20.17 3hru s ALA 203 CO 0.02 -1.94 1.86 1.96 0.00 0.00 0.00 175.76 177.66 3hru h GLN 204 N -1.25 0.89 -0.32 0.00 4.20 -1.99 -0.61 115.11 116.04 3hru h GLN 204 Ca -0.48 -0.05 0.01 0.00 0.06 0.00 0.00 58.65 58.18 3hru h GLN 204 Cb 1.33 -0.20 -0.02 0.00 0.30 0.00 0.00 27.48 28.89 3hru h GLN 204 CO 0.64 0.59 0.21 -1.00 -0.67 0.00 0.00 178.83 178.60 3hru h PRO 205 N 0.91 0.40 0.15 1.46 0.13 -1.97 -1.70 132.00 131.38 3hru h PRO 205 Ca 0.27 -0.02 -0.34 0.00 -0.87 0.00 0.00 66.00 65.04 3hru h PRO 205 Cb -0.05 -0.09 -0.00 0.00 0.13 0.00 0.00 31.00 30.98 3hru h PRO 205 CO -0.08 0.26 -1.74 0.82 -0.23 0.00 0.00 178.00 177.04 3hru h ILE 206 N 0.41 0.93 -0.94 -3.56 5.03 -1.91 -3.33 117.51 114.14 3hru h ILE 206 Ca 0.12 -2.57 0.14 0.00 -0.12 0.00 0.00 64.86 62.43 3hru h ILE 206 Cb -0.02 2.70 -0.08 0.00 -3.03 0.00 0.00 36.82 36.39 3hru h ILE 206 CO -0.03 0.83 0.60 0.00 -0.68 0.00 0.00 178.15 178.88 3hru h ALA 207 N 0.26 1.72 -0.53 1.87 0.00 -0.86 -1.82 119.26 119.91 3hru h ALA 207 Ca -0.33 0.03 0.15 0.00 0.00 0.00 0.00 54.91 54.76 3hru h ALA 207 Cb 2.06 -0.14 -0.02 0.00 0.00 0.00 0.00 17.79 19.69 3hru h ALA 207 CO 0.15 0.01 0.51 0.37 0.00 0.00 0.00 179.25 180.29 3hru h GLN 208 N 0.79 0.00 0.00 0.00 4.15 -1.42 -2.77 115.11 115.87 3hru h GLN 208 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 58.65 59.90 3hru h GLN 208 Cb 0.68 0.00 0.00 0.00 0.21 0.00 0.00 27.48 28.37 3hru h GLN 208 CO -0.25 0.00 -1.69 1.04 -1.93 0.00 0.00 178.83 176.01 3hru n GLN 209 N -3.83 0.61 -2.69 1.69 6.02 -0.69 -4.83 117.38 113.66 3hru n GLN 209 Ca 0.10 -0.14 -0.42 0.00 -0.01 0.00 0.00 57.00 56.53 3hru n GLN 209 Cb 0.72 -1.40 -0.03 0.00 1.02 0.00 0.00 30.24 30.55 3hru n GLN 209 CO 0.00 0.00 0.00 0.42 -1.01 0.00 0.00 177.06 176.47 3hru s ILE 210 N -3.13 4.78 -0.08 5.09 1.01 -1.05 -3.46 121.20 124.36 3hru s ILE 210 Ca -0.05 2.02 -0.01 0.00 0.00 0.00 0.00 60.65 62.61 3hru s ILE 210 Cb 0.11 -4.29 -0.03 0.00 0.01 0.00 0.00 42.46 38.26 3hru s ILE 210 CO 0.71 0.17 -0.02 -0.31 0.00 0.00 0.00 174.94 175.49 3hru s TYR 211 N 0.92 3.08 0.28 3.97 1.51 0.63 -1.15 117.35 126.59 3hru s TYR 211 Ca 0.52 0.12 0.02 0.00 -1.01 0.00 0.00 57.07 56.72 3hru s TYR 211 Cb -0.22 -1.77 -0.06 0.00 -0.11 0.00 0.00 41.96 39.81 3hru s TYR 211 CO 0.28 0.40 0.08 0.14 -1.11 0.00 0.00 175.55 175.35 3hru s VAL 212 N -0.81 0.81 -0.23 0.71 -7.23 0.12 -1.69 120.40 112.08 3hru s VAL 212 Ca 0.12 -2.00 -0.05 0.00 -1.81 0.00 0.00 61.98 58.24 3hru s VAL 212 Cb -0.11 -2.70 0.12 0.00 0.56 0.00 0.00 36.38 34.24 3hru s VAL 212 CO 0.02 -0.00 0.44 -0.70 -0.31 0.00 0.00 175.10 174.55 3hru s GLU 213 N -3.98 0.37 -0.04 4.82 2.56 -0.67 -4.51 118.70 117.26 3hru s GLU 213 Ca 0.37 0.92 -0.30 0.00 0.00 0.00 0.00 54.97 55.97 3hru s GLU 213 Cb 0.08 0.16 -0.07 0.00 2.00 0.00 0.00 34.13 36.30 3hru s GLU 213 CO 0.14 -0.39 1.85 0.21 -0.56 0.00 0.00 175.26 176.51 3hru s LYS 214 N 2.64 4.04 0.00 4.30 2.20 -1.26 -2.17 119.74 129.48 3hru s LYS 214 Ca 0.04 2.34 0.26 0.00 -0.36 0.00 0.00 55.97 58.26 3hru s LYS 214 Cb -0.13 -4.11 0.72 0.00 -1.51 0.00 0.00 37.83 32.80 3hru s LYS 214 CO -0.15 -1.05 1.56 1.51 -0.36 0.00 0.00 175.35 176.87