#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1itm s HIS 1 N 0.00 0.36 0.01 2.03 0.09 -1.22 -1.38 115.29 115.18 1itm s HIS 1 Ca 0.00 -0.78 -0.18 0.00 -0.00 0.00 0.00 55.06 54.10 1itm s HIS 1 Cb 0.00 -0.27 -0.31 0.00 -0.00 0.00 0.00 32.58 32.00 1itm s HIS 1 CO 0.00 -0.33 1.00 -0.22 -0.00 0.00 0.00 174.74 175.19 1itm h LYS 2 N 3.67 0.47 -1.00 1.40 1.63 -1.92 -3.45 116.57 117.37 1itm h LYS 2 Ca -0.33 -0.72 0.22 0.00 -0.85 0.00 0.00 60.65 58.97 1itm h LYS 2 Cb 1.17 0.25 -0.11 0.00 -0.60 0.00 0.00 32.23 32.94 1itm h LYS 2 CO 0.55 1.33 0.61 0.00 -3.45 0.00 0.00 179.45 178.49 1itm s ASP 4 N -5.33 -0.01 -0.09 0.00 2.15 -1.26 -5.04 116.67 107.09 1itm s ASP 4 Ca -0.11 -0.92 -0.25 0.00 0.43 0.00 0.00 52.55 51.70 1itm s ASP 4 Cb 0.26 0.49 -0.28 0.00 -0.30 0.00 0.00 42.92 43.08 1itm s ASP 4 CO 0.80 -0.98 0.85 0.40 -0.17 0.00 0.00 175.17 176.08 1itm h ILE 5 N 2.44 1.65 -0.61 4.11 1.08 -2.00 -3.17 117.51 121.01 1itm h ILE 5 Ca -0.30 -2.39 0.13 0.00 -0.39 0.00 0.00 64.86 61.90 1itm h ILE 5 Cb 1.24 3.25 -0.11 0.00 -3.07 0.00 0.00 36.82 38.13 1itm h ILE 5 CO 0.44 0.65 -0.05 0.00 -0.69 0.00 0.00 178.15 178.50 1itm h THR 6 N -0.67 0.46 0.00 -0.27 1.03 -1.97 -1.80 112.91 109.69 1itm h THR 6 Ca -0.07 -0.02 0.00 0.00 -0.01 0.00 0.00 66.41 66.31 1itm h THR 6 Cb 1.29 0.38 0.00 0.00 -1.07 0.00 0.00 68.15 68.75 1itm h THR 6 CO 0.07 0.01 0.00 0.18 -0.01 0.00 0.00 175.52 175.78 1itm n LEU 7 N -5.33 0.00 -0.33 0.00 7.99 -1.25 -0.43 117.00 117.66 1itm n LEU 7 Ca 0.08 0.96 -0.04 0.00 -0.01 0.00 0.00 56.01 57.00 1itm n LEU 7 Cb 0.34 -0.46 -0.01 0.00 -0.11 0.00 0.00 43.42 43.18 1itm n LEU 7 CO 0.09 -0.46 0.44 0.00 -1.51 0.00 0.00 177.39 175.96 1itm n GLN 8 N -2.39 -0.26 0.24 3.23 6.02 -0.88 -0.18 117.38 123.17 1itm n GLN 8 Ca 0.00 1.25 -0.18 0.00 -0.01 0.00 0.00 57.00 58.07 1itm n GLN 8 Cb 0.00 -1.85 -0.10 0.00 1.02 0.00 0.00 30.24 29.31 1itm n GLN 8 CO 0.00 0.00 0.00 1.49 -1.01 0.00 0.00 177.06 177.54 1itm h GLU 9 N 0.00 -0.90 -0.20 -1.09 4.22 -1.02 -2.60 114.58 113.00 1itm h GLU 9 Ca 0.22 0.06 0.02 0.00 0.08 0.00 0.00 59.36 59.74 1itm h GLU 9 Cb 0.43 0.20 -0.03 0.00 0.50 0.00 0.00 28.75 29.85 1itm h GLU 9 CO -0.80 -0.60 -0.21 0.82 -2.18 0.00 0.00 179.01 176.04 1itm h ILE 10 N -0.93 0.00 -0.54 2.32 2.04 0.15 -1.68 117.51 118.86 1itm h ILE 10 Ca -0.05 0.00 0.05 0.00 1.00 0.00 0.00 64.86 65.86 1itm h ILE 10 Cb 0.84 0.00 -0.06 0.00 -0.74 0.00 0.00 36.82 36.86 1itm h ILE 10 CO -0.13 0.00 -0.32 -0.38 0.00 0.00 0.00 178.15 177.32 1itm n ILE 11 N -3.72 -0.36 -0.25 -0.67 5.41 0.75 0.55 119.36 121.07 1itm n ILE 11 Ca -0.01 1.74 0.05 0.00 1.00 0.00 0.00 62.75 65.53 1itm n ILE 11 Cb 0.12 -2.19 0.18 0.00 -0.71 0.00 0.00 39.64 37.04 1itm n ILE 11 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 176.55 177.05 1itm h LYS 12 N 0.00 0.32 -0.58 0.38 3.64 -1.05 0.90 116.57 120.18 1itm h LYS 12 Ca 0.09 -0.02 -0.04 0.00 -1.27 0.00 0.00 60.65 59.41 1itm h LYS 12 Cb 0.22 -0.07 -0.03 0.00 -0.41 0.00 0.00 32.23 31.94 1itm h LYS 12 CO -0.50 0.21 0.21 1.15 -2.27 0.00 0.00 179.45 178.24 1itm h THR 13 N 0.32 1.23 -0.24 1.00 2.02 0.10 -1.94 112.91 115.41 1itm h THR 13 Ca 0.41 -0.76 -0.09 0.00 0.77 0.00 0.00 66.41 66.74 1itm h THR 13 Cb 0.67 0.64 -0.01 0.00 -1.74 0.00 0.00 68.15 67.72 1itm h THR 13 CO -0.47 0.29 -0.18 -0.07 0.37 0.00 0.00 175.52 175.46 1itm h LEU 14 N 0.81 0.58 -0.05 2.58 4.07 0.27 -2.95 115.31 120.64 1itm h LEU 14 Ca 0.19 -0.45 0.01 0.00 0.08 0.00 0.00 57.88 57.72 1itm h LEU 14 Cb 0.25 -0.16 -0.03 0.00 1.08 0.00 0.00 40.66 41.80 1itm h LEU 14 CO -0.01 0.91 -0.22 0.78 -1.08 0.00 0.00 178.44 178.82 1itm h ASN 15 N 0.27 -0.69 -0.25 -0.43 -0.26 -0.80 -2.76 115.58 110.65 1itm h ASN 15 Ca 0.05 0.08 0.03 0.00 -0.56 0.00 0.00 56.30 55.90 1itm h ASN 15 Cb 0.72 0.27 -0.04 0.00 -1.06 0.00 0.00 38.32 38.20 1itm h ASN 15 CO 0.05 -0.20 -0.28 0.28 -1.06 0.00 0.00 177.43 176.22 1itm h SER 16 N -0.24 -0.94 -0.88 5.81 0.02 -1.38 -0.76 113.55 115.18 1itm h SER 16 Ca 0.01 0.13 0.28 0.00 -0.84 0.00 0.00 61.79 61.37 1itm h SER 16 Cb 0.28 0.39 -0.16 0.00 0.14 0.00 0.00 62.40 63.05 1itm h SER 16 CO -0.17 -0.18 0.14 0.18 -1.14 0.00 0.00 176.83 175.66 1itm n LEU 17 N -4.03 0.01 -0.09 5.07 4.77 -1.11 -1.85 117.00 119.77 1itm n LEU 17 Ca -0.01 1.49 -0.19 0.00 -0.03 0.00 0.00 56.01 57.26 1itm n LEU 17 Cb 0.16 -0.59 -0.12 0.00 -2.33 0.00 0.00 43.42 40.54 1itm n LEU 17 CO -0.01 -1.55 -0.17 0.71 -1.33 0.00 0.00 177.39 175.04 1itm h THR 18 N 0.00 1.26 -0.99 -5.08 1.35 -1.19 -3.34 112.91 104.91 1itm h THR 18 Ca 0.59 -2.25 0.24 0.00 -0.55 0.00 0.00 66.41 64.44 1itm h THR 18 Cb 1.34 2.69 -0.19 0.00 -1.73 0.00 0.00 68.15 70.26 1itm h THR 18 CO -0.79 0.44 -0.10 -0.62 -0.25 0.00 0.00 175.52 174.21 1itm n GLU 19 N -4.47 -0.08 -3.94 4.72 1.02 -0.32 -2.81 120.64 114.75 1itm n GLU 19 Ca -0.23 1.51 -0.31 0.00 -0.02 0.00 0.00 57.16 58.11 1itm n GLU 19 Cb 0.62 -2.34 -0.14 0.00 -0.02 0.00 0.00 31.44 29.56 1itm n GLU 19 CO 0.00 0.00 0.00 -0.65 1.18 0.00 0.00 177.13 177.66 1itm s GLN 20 N -6.11 1.93 0.66 3.49 -0.21 -0.84 -5.10 119.66 113.47 1itm s GLN 20 Ca -0.14 -2.46 -0.02 0.00 0.02 0.00 0.00 55.36 52.76 1itm s GLN 20 Cb 0.28 -3.33 0.08 0.00 1.00 0.00 0.00 33.01 31.04 1itm s GLN 20 CO 0.77 -1.08 0.93 -1.59 -2.12 0.00 0.00 175.29 172.20 1itm s LYS 21 N -0.02 2.09 0.00 2.91 -2.85 -1.12 -4.71 119.74 116.03 1itm s LYS 21 Ca 0.16 -0.75 0.00 0.00 -1.00 0.00 0.00 55.97 54.38 1itm s LYS 21 Cb -0.24 -2.33 0.00 0.00 -2.06 0.00 0.00 37.83 33.20 1itm s LYS 21 CO -0.02 -1.16 0.00 0.25 0.10 0.00 0.00 175.35 174.52 1itm n THR 22 N -2.71 0.00 0.28 3.79 -2.24 -1.26 -5.02 114.28 107.12 1itm n THR 22 Ca 0.11 0.00 0.11 0.00 -2.27 0.00 0.00 64.05 61.99 1itm n THR 22 Cb 0.60 0.00 0.19 0.00 -2.10 0.00 0.00 70.33 69.02 1itm n THR 22 CO 0.00 0.00 0.00 0.18 -0.57 0.00 0.00 175.07 174.68 1itm n LEU 23 N 0.00 3.27 -0.00 3.22 4.77 -1.26 -4.10 117.00 122.89 1itm n LEU 23 Ca 0.00 -1.49 0.03 0.00 -0.03 0.00 0.00 56.01 54.52 1itm n LEU 23 Cb 0.00 -0.22 -0.04 0.00 -2.33 0.00 0.00 43.42 40.83 1itm n LEU 23 CO 0.00 0.70 -0.25 0.00 -1.33 0.00 0.00 177.39 176.51 1itm n THR 25 N -1.39 0.94 -0.69 0.00 -2.24 -1.26 -3.00 114.28 106.64 1itm n THR 25 Ca 0.00 -0.48 0.05 0.00 -2.27 0.00 0.00 64.05 61.35 1itm n THR 25 Cb 0.13 -0.40 0.08 0.00 -2.10 0.00 0.00 70.33 68.03 1itm n THR 25 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1itm n GLU 26 N 0.22 1.87 -2.23 -0.78 4.71 -1.26 -1.40 120.64 121.76 1itm n GLU 26 Ca 0.10 -2.04 -0.41 0.00 -0.01 0.00 0.00 57.16 54.79 1itm n GLU 26 Cb 0.57 -1.24 0.00 0.00 -1.01 0.00 0.00 31.44 29.76 1itm n GLU 26 CO 0.00 0.00 0.00 1.28 0.09 0.00 0.00 177.13 178.50 1itm n LEU 27 N -0.98 7.37 0.00 -4.62 4.77 -1.16 -4.85 117.00 117.53 1itm n LEU 27 Ca 0.09 -4.85 0.00 0.00 -0.03 0.00 0.00 56.01 51.21 1itm n LEU 27 Cb 0.49 -1.39 0.00 0.00 -2.33 0.00 0.00 43.42 40.19 1itm n LEU 27 CO 0.01 1.78 0.00 0.35 -1.33 0.00 0.00 177.39 178.19 1itm n THR 28 N 2.19 0.00 -3.79 -5.08 -2.24 -1.26 -4.72 114.28 99.39 1itm n THR 28 Ca 0.50 0.00 -0.24 0.00 -2.27 0.00 0.00 64.05 62.04 1itm n THR 28 Cb 0.30 0.00 0.01 0.00 -2.10 0.00 0.00 70.33 68.53 1itm n THR 28 CO 0.00 0.00 0.00 1.33 -0.57 0.00 0.00 175.07 175.83 1itm n VAL 29 N 0.00 0.00 -2.86 2.28 0.24 0.06 -4.85 118.33 113.20 1itm n VAL 29 Ca 0.00 -2.01 -0.41 0.00 -2.04 0.00 0.00 64.34 59.88 1itm n VAL 29 Cb 0.00 -0.10 -0.04 0.00 -1.47 0.00 0.00 33.84 32.23 1itm n VAL 29 CO 0.00 0.00 0.00 -0.89 -2.14 0.00 0.00 176.83 173.80 1itm s THR 30 N -2.53 4.75 -1.25 3.34 2.01 -1.26 -0.88 115.64 119.83 1itm s THR 30 Ca 0.32 1.83 -0.07 0.00 0.31 0.00 0.00 61.69 64.07 1itm s THR 30 Cb -0.03 -4.21 0.18 0.00 0.01 0.00 0.00 72.50 68.46 1itm s THR 30 CO 0.20 0.28 1.93 -0.67 -0.69 0.00 0.00 174.62 175.68 1itm n ASP 31 N 3.23 6.01 0.31 3.53 -0.08 -0.47 -4.72 116.55 124.35 1itm n ASP 31 Ca 0.01 -3.18 0.12 0.00 -1.51 0.00 0.00 54.79 50.23 1itm n ASP 31 Cb 0.50 -1.41 0.62 0.00 2.34 0.00 0.00 41.12 43.17 1itm n ASP 31 CO 0.00 0.00 0.00 0.16 0.12 0.00 0.00 177.20 177.48 1itm h ILE 32 N 3.39 0.02 -0.69 5.18 -0.00 -1.93 0.14 117.51 123.62 1itm h ILE 32 Ca 0.44 0.00 0.00 0.00 -0.00 0.00 0.00 64.86 65.30 1itm h ILE 32 Cb 0.54 0.50 -0.03 0.00 -0.00 0.00 0.00 36.82 37.83 1itm h ILE 32 CO 1.54 0.00 0.44 -0.26 -0.00 0.00 0.00 178.15 179.87 1itm h PHE 33 N 0.00 0.88 -0.32 0.16 0.04 -1.95 0.02 116.94 115.77 1itm h PHE 33 Ca 0.02 0.01 -0.10 0.00 2.80 0.00 0.00 57.97 60.70 1itm h PHE 33 Cb 1.03 -0.29 -0.06 0.00 2.20 0.00 0.00 35.95 38.83 1itm h PHE 33 CO 0.00 0.57 0.13 0.00 -0.60 0.00 0.00 178.31 178.41 1itm n ALA 34 N -2.43 3.42 -1.47 2.45 0.00 0.04 -2.86 120.51 119.66 1itm n ALA 34 Ca 0.07 -0.99 0.00 0.00 0.00 0.00 0.00 53.44 52.52 1itm n ALA 34 Cb 0.05 -1.12 0.00 0.00 0.00 0.00 0.00 19.45 18.38 1itm n ALA 34 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1itm n ALA 35 N 0.05 1.03 1.21 0.00 0.00 -0.33 -4.75 120.51 117.72 1itm n ALA 35 Ca 0.18 -0.28 0.13 0.00 0.00 0.00 0.00 53.44 53.46 1itm n ALA 35 Cb 0.81 -0.01 0.36 0.00 0.00 0.00 0.00 19.45 20.61 1itm n ALA 35 CO 0.00 0.00 0.00 0.45 0.00 0.00 0.00 177.50 177.95 1itm n SER 36 N 0.00 0.95 0.00 0.00 2.88 -0.15 -4.61 113.62 112.68 1itm n SER 36 Ca 0.00 -0.80 0.00 0.00 -1.33 0.00 0.00 58.87 56.74 1itm n SER 36 Cb 0.50 0.15 0.00 0.00 -0.75 0.00 0.00 64.21 64.11 1itm n SER 36 CO 0.00 0.00 0.00 1.17 -1.23 0.00 0.00 175.04 174.98 1itm n LYS 37 N -0.77 0.00 -2.37 -1.46 4.81 -1.26 -1.05 118.16 116.05 1itm n LYS 37 Ca 0.11 0.00 -0.16 0.00 -0.87 0.00 0.00 58.31 57.40 1itm n LYS 37 Cb 0.35 0.00 0.03 0.00 0.02 0.00 0.00 35.03 35.42 1itm n LYS 37 CO 0.00 0.00 0.00 0.09 1.17 0.00 0.00 177.40 178.66 1itm n ASN 38 N -3.11 3.59 -1.08 3.14 3.02 -1.26 -5.06 115.26 114.49 1itm n ASN 38 Ca 0.00 -3.12 0.00 0.00 -0.03 0.00 0.00 54.58 51.43 1itm n ASN 38 Cb 0.00 -0.41 0.00 0.00 -0.61 0.00 0.00 39.78 38.76 1itm n ASN 38 CO 0.00 0.00 0.00 1.07 -2.62 0.00 0.00 177.26 175.71 1itm n THR 39 N -0.61 0.00 -4.40 3.41 5.66 -0.21 -5.17 114.28 112.96 1itm n THR 39 Ca 0.29 0.00 -0.25 0.00 -3.05 0.00 0.00 64.05 61.04 1itm n THR 39 Cb 0.87 0.00 -0.10 0.00 -1.55 0.00 0.00 70.33 69.55 1itm n THR 39 CO 0.00 0.00 0.00 0.42 -3.05 0.00 0.00 175.07 172.44 1itm s THR 40 N -0.68 2.66 0.24 1.09 -4.23 -1.26 -5.00 115.64 108.46 1itm s THR 40 Ca 0.00 -2.08 -0.14 0.00 -1.18 0.00 0.00 61.69 58.29 1itm s THR 40 Cb 0.00 -2.34 0.31 0.00 1.34 0.00 0.00 72.50 71.81 1itm s THR 40 CO 0.00 -0.24 1.56 -0.33 -0.54 0.00 0.00 174.62 175.07 1itm h GLU 41 N 2.68 -0.02 0.18 3.99 5.08 -1.98 -0.19 114.58 124.33 1itm h GLU 41 Ca -0.44 0.00 0.01 0.00 -1.00 0.00 0.00 59.36 57.93 1itm h GLU 41 Cb 1.23 0.00 -0.04 0.00 0.50 0.00 0.00 28.75 30.44 1itm h GLU 41 CO 0.55 -0.01 -0.52 0.87 -1.00 0.00 0.00 179.01 178.90 1itm h LYS 42 N -0.02 -0.75 -0.85 2.33 1.57 -1.91 0.44 116.57 117.38 1itm h LYS 42 Ca 0.38 0.05 0.16 0.00 -1.87 0.00 0.00 60.65 59.38 1itm h LYS 42 Cb 0.63 0.17 -0.10 0.00 0.08 0.00 0.00 32.23 33.01 1itm h LYS 42 CO -0.95 -0.50 0.41 0.93 -0.57 0.00 0.00 179.45 178.77 1itm h GLU 43 N -0.78 0.53 0.25 3.15 5.08 -1.51 0.46 114.58 121.77 1itm h GLU 43 Ca -0.02 -0.03 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1itm h GLU 43 Cb 0.76 -0.12 -0.02 0.00 0.50 0.00 0.00 28.75 29.87 1itm h GLU 43 CO -0.25 0.35 -0.28 1.15 -1.00 0.00 0.00 179.01 178.98 1itm h THR 44 N 0.55 0.40 0.00 1.13 2.02 -0.64 0.11 112.91 116.49 1itm h THR 44 Ca 0.48 0.00 0.00 0.00 0.77 0.00 0.00 66.41 67.66 1itm h THR 44 Cb 0.75 0.40 0.00 0.00 -1.74 0.00 0.00 68.15 67.56 1itm h THR 44 CO -0.41 0.00 0.01 -0.26 0.37 0.00 0.00 175.52 175.23 1itm h PHE 45 N -0.58 0.00 0.00 3.16 -1.00 0.16 0.44 116.94 119.12 1itm h PHE 45 Ca -0.00 0.00 -0.01 0.00 2.81 0.00 0.00 57.97 60.77 1itm h PHE 45 Cb 0.54 0.00 -0.00 0.00 3.61 0.00 0.00 35.95 40.10 1itm h PHE 45 CO -0.19 0.00 -0.04 0.00 -1.61 0.00 0.00 178.31 176.46 1itm h ARG 47 N -1.00 0.22 -0.37 0.00 3.08 -1.05 -2.58 114.38 112.67 1itm h ARG 47 Ca -0.01 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.06 1itm h ARG 47 Cb 0.75 -0.05 -0.05 0.00 0.08 0.00 0.00 29.97 30.70 1itm h ARG 47 CO -0.01 0.15 -0.31 0.00 -1.07 0.00 0.00 179.97 178.74 1itm h ALA 48 N 1.06 -0.43 -0.65 0.04 0.00 -1.00 0.76 119.26 119.05 1itm h ALA 48 Ca 0.06 0.03 0.06 0.00 0.00 0.00 0.00 54.91 55.07 1itm h ALA 48 Cb -0.02 1.07 -0.09 0.00 0.00 0.00 0.00 17.79 18.75 1itm h ALA 48 CO -0.01 -0.61 -0.52 0.00 0.00 0.00 0.00 179.25 178.10 1itm h ALA 49 N -0.42 -0.62 -0.21 0.00 0.00 -0.98 -0.89 119.26 116.14 1itm h ALA 49 Ca 0.06 0.05 0.03 0.00 0.00 0.00 0.00 54.91 55.05 1itm h ALA 49 Cb 0.27 1.22 -0.05 0.00 0.00 0.00 0.00 17.79 19.23 1itm h ALA 49 CO -0.41 -0.93 -0.34 1.15 0.00 0.00 0.00 179.25 178.71 1itm h THR 50 N -0.18 0.00 -0.88 0.00 2.02 -0.99 -0.27 112.91 112.61 1itm h THR 50 Ca 0.11 0.00 0.08 0.00 0.77 0.00 0.00 66.41 67.37 1itm h THR 50 Cb 0.46 0.00 -0.11 0.00 -1.74 0.00 0.00 68.15 66.76 1itm h THR 50 CO -0.70 0.00 -0.57 0.58 0.37 0.00 0.00 175.52 175.20 1itm h VAL 51 N -0.28 0.00 0.60 3.16 2.07 -0.11 -1.55 116.25 120.14 1itm h VAL 51 Ca 0.04 0.00 -0.02 0.00 0.82 0.00 0.00 66.70 67.53 1itm h VAL 51 Cb 0.38 0.00 -0.00 0.00 -1.52 0.00 0.00 31.29 30.15 1itm h VAL 51 CO -0.34 0.00 -0.36 0.25 0.02 0.00 0.00 177.57 177.13 1itm h LEU 52 N -0.06 -0.90 -0.79 2.57 7.12 -0.95 -1.55 115.31 120.73 1itm h LEU 52 Ca 0.14 0.05 0.07 0.00 0.13 0.00 0.00 57.88 58.27 1itm h LEU 52 Cb 0.43 0.26 -0.10 0.00 -0.53 0.00 0.00 40.66 40.72 1itm h LEU 52 CO -0.86 -0.57 -0.47 -1.14 -0.13 0.00 0.00 178.44 175.28 1itm n ARG 53 N -5.50 -0.35 0.16 1.25 0.63 -0.13 -1.37 116.66 111.35 1itm n ARG 53 Ca -0.13 1.35 -0.15 0.00 -0.92 0.00 0.00 57.85 58.00 1itm n ARG 53 Cb 0.39 -1.99 -0.09 0.00 0.45 0.00 0.00 32.46 31.22 1itm n ARG 53 CO 0.00 0.00 0.00 1.96 -2.51 0.00 0.00 177.63 177.08 1itm h GLN 54 N 0.00 -0.74 -0.97 -0.14 1.08 -1.26 -1.85 115.11 111.23 1itm h GLN 54 Ca 0.13 0.05 0.11 0.00 -1.45 0.00 0.00 58.65 57.49 1itm h GLN 54 Cb 0.33 0.17 -0.13 0.00 -0.05 0.00 0.00 27.48 27.79 1itm h GLN 54 CO -0.75 -0.49 -0.51 0.35 -0.95 0.00 0.00 178.83 176.48 1itm h PHE 55 N -0.76 -1.58 0.13 2.96 3.57 -0.15 -0.06 116.94 121.03 1itm h PHE 55 Ca -0.02 0.12 -0.01 0.00 3.53 0.00 0.00 57.97 61.59 1itm h PHE 55 Cb 0.72 0.82 0.00 0.00 2.79 0.00 0.00 35.95 40.29 1itm h PHE 55 CO -0.37 -0.39 -0.06 0.10 -2.23 0.00 0.00 178.31 175.37 1itm h TYR 56 N -0.02 -0.16 -0.73 0.41 -0.00 -1.19 -2.67 116.97 112.63 1itm h TYR 56 Ca 0.23 -0.00 0.16 0.00 0.00 0.00 0.00 58.73 59.11 1itm h TYR 56 Cb 0.49 0.05 -0.13 0.00 0.00 0.00 0.00 36.73 37.14 1itm h TYR 56 CO -0.96 0.18 -0.07 1.03 -0.00 0.00 0.00 178.16 178.34 1itm h SER 57 N -0.50 -0.47 -0.14 0.10 0.87 -0.72 -2.06 113.55 110.62 1itm h SER 57 Ca -0.02 0.20 -0.13 0.00 -1.23 0.00 0.00 61.79 60.61 1itm h SER 57 Cb 0.40 0.38 -0.01 0.00 -0.44 0.00 0.00 62.40 62.73 1itm h SER 57 CO 0.03 -0.20 -0.35 -0.74 -0.53 0.00 0.00 176.83 175.04 1itm h HIS 58 N 0.06 0.76 0.00 2.24 -0.00 -1.05 -3.28 115.15 113.88 1itm h HIS 58 Ca 0.38 -0.21 -0.08 0.00 -0.00 0.00 0.00 60.37 60.46 1itm h HIS 58 Cb 0.63 -0.17 -0.01 0.00 -0.00 0.00 0.00 27.41 27.87 1itm h HIS 58 CO -0.48 0.91 -0.38 0.45 -0.00 0.00 0.00 177.93 178.43 1itm h HIS 59 N 0.54 0.00 -0.25 5.26 3.86 -1.02 -3.38 115.15 120.16 1itm h HIS 59 Ca 0.06 0.00 0.06 0.00 -1.16 0.00 0.00 60.37 59.33 1itm h HIS 59 Cb 0.86 0.00 -0.05 0.00 1.06 0.00 0.00 27.41 29.28 1itm h HIS 59 CO 0.04 0.38 -0.02 0.39 0.86 0.00 0.00 177.93 179.58 1itm n GLU 60 N -3.22 -0.02 -2.78 2.45 1.02 -0.95 0.48 120.64 117.61 1itm n GLU 60 Ca 0.02 0.39 -0.26 0.00 -0.02 0.00 0.00 57.16 57.29 1itm n GLU 60 Cb 0.67 -0.60 -0.02 0.00 -0.02 0.00 0.00 31.44 31.47 1itm n GLU 60 CO 0.00 0.00 0.00 1.63 1.18 0.00 0.00 177.13 179.94 1itm n LYS 61 N -4.24 3.06 -0.01 3.49 5.02 -1.26 -4.73 118.16 119.48 1itm n LYS 61 Ca 0.05 -4.57 -0.16 0.00 -2.02 0.00 0.00 58.31 51.61 1itm n LYS 61 Cb 0.17 -2.16 -0.14 0.00 -0.02 0.00 0.00 35.03 32.88 1itm n LYS 61 CO 0.00 0.00 0.00 -3.47 -0.52 0.00 0.00 177.40 173.41 1itm n ASP 62 N -0.28 1.60 -3.16 4.39 -0.08 0.18 -4.98 116.55 114.21 1itm n ASP 62 Ca 0.32 0.27 -0.09 0.00 -1.51 0.00 0.00 54.79 53.79 1itm n ASP 62 Cb 0.52 -0.50 -0.02 0.00 2.34 0.00 0.00 41.12 43.46 1itm n ASP 62 CO 0.00 0.00 0.00 0.35 0.12 0.00 0.00 177.20 177.67 1itm n THR 63 N -3.29 -0.34 -0.00 5.18 -2.24 -1.26 -4.65 114.28 107.67 1itm n THR 63 Ca -0.27 -0.13 -0.00 0.00 -2.27 0.00 0.00 64.05 61.38 1itm n THR 63 Cb 1.05 -0.32 -0.00 0.00 -2.10 0.00 0.00 70.33 68.96 1itm n THR 63 CO 0.00 0.00 0.00 0.54 -0.57 0.00 0.00 175.07 175.04 1itm n ARG 64 N -1.89 0.00 -0.10 -0.78 1.74 -1.26 -4.29 116.66 110.07 1itm n ARG 64 Ca -0.07 0.00 -0.20 0.00 -0.77 0.00 0.00 57.85 56.81 1itm n ARG 64 Cb 0.16 -0.95 -0.12 0.00 -1.02 0.00 0.00 32.46 30.53 1itm n ARG 64 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1itm n LEU 66 N -3.46 3.98 -3.07 0.00 -0.00 -1.26 -3.90 117.00 109.29 1itm n LEU 66 Ca -0.44 -2.05 -0.20 0.00 -0.00 0.00 0.00 56.01 53.33 1itm n LEU 66 Cb 0.98 -0.62 -0.03 0.00 -0.00 0.00 0.00 43.42 43.75 1itm n LEU 66 CO 0.26 0.57 -0.12 0.61 -0.00 0.00 0.00 177.39 178.71 1itm n GLY 67 N 0.08 3.96 0.26 1.47 0.00 -1.26 -3.80 105.19 105.91 1itm n GLY 67 Ca 0.20 -1.94 -0.24 0.00 0.00 0.00 0.00 46.02 44.04 1itm n GLY 67 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1itm n ALA 68 N 0.11 1.44 -1.03 4.61 0.00 -1.25 -4.76 120.51 119.62 1itm n ALA 68 Ca 0.25 -0.93 0.00 0.00 0.00 0.00 0.00 53.44 52.76 1itm n ALA 68 Cb 0.61 0.18 0.00 0.00 0.00 0.00 0.00 19.45 20.24 1itm n ALA 68 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1itm n THR 69 N -4.09 0.00 0.02 0.00 5.66 -1.26 -5.05 114.28 109.56 1itm n THR 69 Ca -0.45 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 60.55 1itm n THR 69 Cb 0.81 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.59 1itm n THR 69 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1itm n ALA 70 N -3.00 1.59 0.15 1.79 0.00 -1.26 -4.81 120.51 114.97 1itm n ALA 70 Ca 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 53.44 53.30 1itm n ALA 70 Cb 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 19.45 19.37 1itm n ALA 70 CO 0.00 0.00 0.00 0.37 0.00 0.00 0.00 177.50 177.87 1itm h GLN 71 N 0.00 -0.68 -0.49 0.00 4.15 -1.98 -2.19 115.11 113.92 1itm h GLN 71 Ca 0.00 0.05 0.10 0.00 0.77 0.00 0.00 58.65 59.56 1itm h GLN 71 Cb 0.00 0.16 -0.09 0.00 0.21 0.00 0.00 27.48 27.75 1itm h GLN 71 CO 0.00 -0.46 -0.10 1.96 -1.93 0.00 0.00 178.83 178.30 1itm h GLN 72 N -0.71 0.02 -0.59 1.69 1.08 -1.92 0.30 115.11 114.98 1itm h GLN 72 Ca -0.02 -0.00 0.06 0.00 -1.45 0.00 0.00 58.65 57.23 1itm h GLN 72 Cb 0.67 -0.00 -0.09 0.00 -0.05 0.00 0.00 27.48 28.00 1itm h GLN 72 CO -0.16 0.01 -0.54 0.35 -0.95 0.00 0.00 178.83 177.54 1itm h PHE 73 N 0.02 -1.67 -0.57 2.96 3.57 -1.56 0.15 116.94 119.84 1itm h PHE 73 Ca 0.24 0.09 0.04 0.00 3.53 0.00 0.00 57.97 61.88 1itm h PHE 73 Cb 0.36 0.81 -0.05 0.00 2.79 0.00 0.00 35.95 39.87 1itm h PHE 73 CO -0.40 -0.42 0.31 1.25 -2.23 0.00 0.00 178.31 176.82 1itm h HIS 74 N -0.24 0.57 -0.41 0.41 2.76 -0.78 -2.10 115.15 115.37 1itm h HIS 74 Ca 0.10 0.02 0.08 0.00 -2.20 0.00 0.00 60.37 58.37 1itm h HIS 74 Cb 0.49 -0.18 -0.09 0.00 1.55 0.00 0.00 27.41 29.19 1itm h HIS 74 CO -0.83 0.29 -0.35 -0.09 -1.30 0.00 0.00 177.93 175.64 1itm h ARG 75 N 0.60 -0.26 -0.10 5.26 2.43 0.13 -1.00 114.38 121.44 1itm h ARG 75 Ca 0.25 0.02 0.02 0.00 -0.81 0.00 0.00 59.98 59.45 1itm h ARG 75 Cb 0.12 0.06 -0.02 0.00 -0.42 0.00 0.00 29.97 29.71 1itm h ARG 75 CO -0.15 -0.17 -0.01 1.25 -1.51 0.00 0.00 179.97 179.38 1itm h HIS 76 N -0.27 -0.02 -0.75 2.20 2.76 -0.69 -2.01 115.15 116.37 1itm h HIS 76 Ca 0.17 0.01 0.09 0.00 -2.20 0.00 0.00 60.37 58.44 1itm h HIS 76 Cb 0.55 0.03 -0.12 0.00 1.55 0.00 0.00 27.41 29.42 1itm h HIS 76 CO -0.56 -0.02 -0.49 -0.22 -1.30 0.00 0.00 177.93 175.33 1itm h LYS 77 N 0.02 -0.14 -0.11 5.26 3.64 -0.58 0.03 116.57 124.69 1itm h LYS 77 Ca 0.05 0.01 0.04 0.00 -1.27 0.00 0.00 60.65 59.48 1itm h LYS 77 Cb 0.06 0.03 -0.06 0.00 -0.41 0.00 0.00 32.23 31.85 1itm h LYS 77 CO -0.09 -0.09 -0.44 1.96 -2.27 0.00 0.00 179.45 178.52 1itm h GLN 78 N -0.15 -0.50 -0.44 1.90 4.20 -0.86 -2.77 115.11 116.49 1itm h GLN 78 Ca 0.19 0.03 0.05 0.00 0.06 0.00 0.00 58.65 58.98 1itm h GLN 78 Cb 0.53 0.11 -0.08 0.00 0.30 0.00 0.00 27.48 28.35 1itm h GLN 78 CO -0.80 -0.33 -0.51 -0.07 -0.67 0.00 0.00 178.83 176.45 1itm h LEU 79 N -0.52 -1.72 -0.64 1.46 4.07 -0.32 -2.18 115.31 115.45 1itm h LEU 79 Ca 0.07 0.23 0.10 0.00 0.08 0.00 0.00 57.88 58.36 1itm h LEU 79 Cb 0.64 0.71 -0.12 0.00 1.08 0.00 0.00 40.66 42.98 1itm h LEU 79 CO -0.39 -0.34 -0.38 0.40 -1.08 0.00 0.00 178.44 176.65 1itm h ILE 80 N -0.31 0.12 -0.47 1.22 1.08 -0.91 0.15 117.51 118.38 1itm h ILE 80 Ca 0.08 0.00 0.08 0.00 -0.39 0.00 0.00 64.86 64.63 1itm h ILE 80 Cb 0.51 0.12 -0.10 0.00 -3.07 0.00 0.00 36.82 34.28 1itm h ILE 80 CO -0.58 0.00 -0.37 0.03 -0.69 0.00 0.00 178.15 176.54 1itm h ARG 81 N -0.17 -0.24 -0.33 2.37 3.08 -1.15 0.08 114.38 118.03 1itm h ARG 81 Ca 0.23 0.02 0.01 0.00 0.07 0.00 0.00 59.98 60.30 1itm h ARG 81 Cb 0.56 0.05 -0.02 0.00 0.08 0.00 0.00 29.97 30.64 1itm h ARG 81 CO -0.72 -0.16 0.21 0.74 -1.07 0.00 0.00 179.97 178.97 1itm h PHE 82 N -0.24 0.39 -0.35 3.04 0.04 -0.73 -1.00 116.94 118.09 1itm h PHE 82 Ca 0.18 0.01 0.08 0.00 2.80 0.00 0.00 57.97 61.04 1itm h PHE 82 Cb 0.56 -0.13 -0.08 0.00 2.20 0.00 0.00 35.95 38.50 1itm h PHE 82 CO -0.61 0.24 -0.21 -0.07 -0.60 0.00 0.00 178.31 177.06 1itm h LEU 83 N 0.42 -0.71 -0.07 1.54 3.38 0.74 -0.13 115.31 120.48 1itm h LEU 83 Ca 0.13 0.15 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1itm h LEU 83 Cb -0.02 0.36 -0.05 0.00 0.09 0.00 0.00 40.66 41.04 1itm h LEU 83 CO -0.04 -0.24 -0.22 0.50 0.09 0.00 0.00 178.44 178.52 1itm h LYS 84 N -0.16 -0.30 -0.71 1.13 3.64 -0.71 -1.29 116.57 118.16 1itm h LYS 84 Ca 0.18 0.02 0.15 0.00 -1.27 0.00 0.00 60.65 59.72 1itm h LYS 84 Cb 0.44 0.07 -0.13 0.00 -0.41 0.00 0.00 32.23 32.19 1itm h LYS 84 CO -0.45 -0.20 -0.13 0.00 -2.27 0.00 0.00 179.45 176.41 1itm h ARG 85 N -0.31 0.02 -0.03 1.90 3.08 0.05 -1.63 114.38 117.48 1itm h ARG 85 Ca 0.08 -0.00 0.00 0.00 0.07 0.00 0.00 59.98 60.14 1itm h ARG 85 Cb 0.43 -0.01 -0.01 0.00 0.08 0.00 0.00 29.97 30.46 1itm h ARG 85 CO -0.25 0.02 -0.07 -0.07 -1.07 0.00 0.00 179.97 178.52 1itm h LEU 86 N 0.03 -0.24 -0.80 3.04 3.38 0.09 -2.77 115.31 118.04 1itm h LEU 86 Ca 0.36 0.03 0.07 0.00 0.09 0.00 0.00 57.88 58.43 1itm h LEU 86 Cb 0.57 0.09 -0.10 0.00 0.09 0.00 0.00 40.66 41.32 1itm h LEU 86 CO -0.70 -0.06 -0.47 -0.67 0.09 0.00 0.00 178.44 176.62 1itm n ASP 87 N -2.98 -0.85 -0.25 -0.43 2.03 -0.68 -0.25 116.55 113.14 1itm n ASP 87 Ca -0.01 1.54 -0.07 0.00 0.52 0.00 0.00 54.79 56.77 1itm n ASP 87 Cb 0.05 -0.24 -0.02 0.00 -0.72 0.00 0.00 41.12 40.19 1itm n ASP 87 CO 0.00 0.00 0.00 -0.09 -1.92 0.00 0.00 177.20 175.19 1itm h ARG 88 N 0.00 -0.16 -0.03 -0.67 2.43 -1.21 -1.73 114.38 113.01 1itm h ARG 88 Ca 0.13 0.01 -0.12 0.00 -0.81 0.00 0.00 59.98 59.19 1itm h ARG 88 Cb 0.33 0.04 0.01 0.00 -0.42 0.00 0.00 29.97 29.92 1itm h ARG 88 CO -0.75 -0.11 -0.45 -0.91 -1.51 0.00 0.00 179.97 176.24 1itm h ASN 89 N -0.17 0.44 -0.79 -3.80 2.35 -1.15 -3.32 115.58 109.15 1itm h ASN 89 Ca 0.21 -0.73 0.14 0.00 -0.55 0.00 0.00 56.30 55.37 1itm h ASN 89 Cb 0.56 -0.13 -0.14 0.00 0.05 0.00 0.00 38.32 38.65 1itm h ASN 89 CO -0.76 1.11 -0.31 0.25 -1.65 0.00 0.00 177.43 176.07 1itm h LEU 90 N -0.18 -1.13 -1.00 1.61 6.46 -0.33 0.95 115.31 121.69 1itm h LEU 90 Ca -0.05 0.26 0.21 0.00 -0.12 0.00 0.00 57.88 58.18 1itm h LEU 90 Cb 1.16 0.61 -0.19 0.00 -0.73 0.00 0.00 40.66 41.51 1itm h LEU 90 CO 0.09 -0.29 -0.22 1.87 -0.62 0.00 0.00 178.44 179.27 1itm n TRP 91 N -5.48 0.39 0.01 1.25 -0.00 -0.68 -0.95 117.44 111.98 1itm n TRP 91 Ca 0.08 1.22 -0.14 0.00 -0.00 0.00 0.00 57.50 58.66 1itm n TRP 91 Cb 0.39 -1.10 -0.09 0.00 -0.00 0.00 0.00 31.31 30.51 1itm n TRP 91 CO 0.00 0.00 0.00 0.78 -0.00 0.00 0.00 177.69 178.47 1itm h GLY 92 N 0.00 -1.13 0.30 5.87 0.00 -0.96 -1.21 103.07 105.93 1itm h GLY 92 Ca 0.49 0.68 0.02 0.00 0.00 0.00 0.00 47.33 48.52 1itm h GLY 92 CO -1.02 -0.23 -0.37 1.41 0.00 0.00 0.00 176.54 176.33 1itm h LEU 93 N -0.57 -1.10 -0.37 3.11 4.07 -1.05 -3.05 115.31 116.36 1itm h LEU 93 Ca 0.02 0.13 0.03 0.00 0.08 0.00 0.00 57.88 58.15 1itm h LEU 93 Cb 0.64 0.42 -0.04 0.00 1.08 0.00 0.00 40.66 42.76 1itm h LEU 93 CO -0.39 -0.44 -0.22 0.00 -1.08 0.00 0.00 178.44 176.31 1itm n ALA 94 N -2.80 -0.23 -1.54 1.53 0.00 -0.46 -4.90 120.51 112.12 1itm n ALA 94 Ca -0.06 0.31 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1itm n ALA 94 Cb 0.36 0.24 0.00 0.00 0.00 0.00 0.00 19.45 20.05 1itm n ALA 94 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1itm n GLY 95 N -1.09 0.91 0.00 0.00 0.00 -0.49 -4.45 105.19 100.07 1itm n GLY 95 Ca 0.01 -0.56 0.00 0.00 0.00 0.00 0.00 46.02 45.47 1itm n GLY 95 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 173.32 174.36 1itm n LEU 96 N -0.15 0.00 0.18 0.99 4.32 -1.26 -5.07 117.00 116.01 1itm n LEU 96 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 56.01 55.99 1itm n LEU 96 Cb 0.35 0.00 0.00 0.00 -1.62 0.00 0.00 43.42 42.15 1itm n LEU 96 CO 0.00 0.00 0.00 0.59 -1.22 0.00 0.00 177.39 176.76 1itm n ASN 97 N 0.00 -1.98 -3.61 -1.43 3.02 -1.26 -5.08 115.26 104.92 1itm n ASN 97 Ca 0.00 0.67 -0.02 0.00 -0.03 0.00 0.00 54.58 55.20 1itm n ASN 97 Cb 0.00 1.97 -0.02 0.00 -0.61 0.00 0.00 39.78 41.12 1itm n ASN 97 CO 0.00 0.00 0.00 -0.94 -2.62 0.00 0.00 177.26 173.70 1itm s SER 98 N -3.68 -0.06 0.16 6.41 1.04 -1.26 -4.99 113.70 111.31 1itm s SER 98 Ca 0.00 -0.02 -0.11 0.00 0.48 0.00 0.00 55.95 56.31 1itm s SER 98 Cb 0.00 0.08 0.00 0.00 0.10 0.00 0.00 66.02 66.20 1itm s SER 98 CO 0.00 -0.13 0.33 0.00 0.98 0.00 0.00 173.24 174.42 1itm n PRO 100 N -0.23 -3.17 -3.99 0.00 -0.02 -1.26 -4.71 135.00 121.62 1itm n PRO 100 Ca -0.09 -1.75 -0.34 0.00 -2.02 0.00 0.00 63.50 59.31 1itm n PRO 100 Cb 0.63 -1.64 -0.15 0.00 -0.02 0.00 0.00 33.50 32.32 1itm n PRO 100 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1itm s VAL 101 N -2.97 2.72 -0.80 -1.45 0.11 -1.26 -4.58 120.40 112.17 1itm s VAL 101 Ca 0.71 -1.04 0.02 0.00 -2.93 0.00 0.00 61.98 58.75 1itm s VAL 101 Cb -0.07 -2.36 0.31 0.00 -1.53 0.00 0.00 36.38 32.73 1itm s VAL 101 CO 0.55 0.24 1.22 0.29 -3.33 0.00 0.00 175.10 174.06 1itm n LYS 102 N 4.65 3.85 -0.08 1.54 4.76 -1.26 -5.06 118.16 126.57 1itm n LYS 102 Ca -0.17 -4.72 -0.03 0.00 -2.87 0.00 0.00 58.31 50.53 1itm n LYS 102 Cb 0.47 -2.35 -0.00 0.00 -1.84 0.00 0.00 35.03 31.31 1itm n LYS 102 CO 0.00 0.00 0.00 -1.91 -1.37 0.00 0.00 177.40 174.12 1itm n GLU 103 N 0.35 0.00 0.00 1.97 2.13 -1.26 -4.95 120.64 118.88 1itm n GLU 103 Ca 0.34 0.00 0.00 0.00 0.66 0.00 0.00 57.16 58.16 1itm n GLU 103 Cb 0.35 -0.06 0.00 0.00 0.27 0.00 0.00 31.44 32.00 1itm n GLU 103 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1itm n ALA 104 N -0.04 1.42 -3.22 4.31 0.00 -1.26 -4.95 120.51 116.77 1itm n ALA 104 Ca 0.01 -0.02 -0.03 0.00 0.00 0.00 0.00 53.44 53.40 1itm n ALA 104 Cb 0.02 0.00 -0.01 0.00 0.00 0.00 0.00 19.45 19.47 1itm n ALA 104 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 1itm n ASN 105 N -1.46 -0.32 -4.57 0.00 3.02 -1.26 -5.01 115.26 105.66 1itm n ASN 105 Ca 0.00 -1.40 -0.30 0.00 -0.03 0.00 0.00 54.58 52.85 1itm n ASN 105 Cb 0.00 0.58 -0.10 0.00 -0.61 0.00 0.00 39.78 39.65 1itm n ASN 105 CO 0.00 0.00 0.00 -1.10 -2.62 0.00 0.00 177.26 173.54 1itm s GLN 106 N -2.15 2.18 -0.07 3.52 1.11 -1.26 -1.37 119.66 121.60 1itm s GLN 106 Ca 0.06 -0.98 0.03 0.00 0.01 0.00 0.00 55.36 54.48 1itm s GLN 106 Cb -0.00 -2.32 0.00 0.00 -1.01 0.00 0.00 33.01 29.68 1itm s GLN 106 CO 0.04 0.52 -0.18 0.45 0.01 0.00 0.00 175.29 176.14 1itm s SER 107 N -2.03 2.37 -0.95 5.90 0.15 -0.06 -4.75 113.70 114.34 1itm s SER 107 Ca 0.20 -0.41 -0.22 0.00 0.70 0.00 0.00 55.95 56.22 1itm s SER 107 Cb -0.11 -1.01 0.07 0.00 -1.71 0.00 0.00 66.02 63.26 1itm s SER 107 CO 0.12 0.11 1.32 0.42 1.20 0.00 0.00 173.24 176.41 1itm s THR 108 N 0.42 4.14 0.00 6.45 -4.23 -1.26 -0.76 115.64 120.40 1itm s THR 108 Ca -0.14 -0.84 0.00 0.00 -1.18 0.00 0.00 61.69 59.53 1itm s THR 108 Cb -0.16 -4.95 0.00 0.00 1.34 0.00 0.00 72.50 68.73 1itm s THR 108 CO 0.05 -1.79 0.00 -0.11 -0.54 0.00 0.00 174.62 172.23 1itm n LEU 109 N 8.25 0.00 -0.31 4.79 7.94 -0.86 -0.57 117.00 136.24 1itm n LEU 109 Ca 0.26 0.00 0.14 0.00 -1.11 0.00 0.00 56.01 55.30 1itm n LEU 109 Cb 0.50 0.00 0.30 0.00 0.53 0.00 0.00 43.42 44.75 1itm n LEU 109 CO 0.62 0.00 0.88 1.05 -1.11 0.00 0.00 177.39 178.83 1itm h GLU 110 N 0.00 0.10 0.70 1.96 4.11 -1.58 -0.11 114.58 119.76 1itm h GLU 110 Ca 0.00 -0.01 -0.03 0.00 0.07 0.00 0.00 59.36 59.39 1itm h GLU 110 Cb 0.00 -0.02 0.01 0.00 0.50 0.00 0.00 28.75 29.23 1itm h GLU 110 CO 0.00 0.07 -0.34 -0.97 0.07 0.00 0.00 179.01 177.84 1itm h ASN 111 N 0.10 -0.80 -0.98 3.06 -0.73 -1.11 -1.51 115.58 113.61 1itm h ASN 111 Ca 0.58 0.03 0.15 0.00 1.87 0.00 0.00 56.30 58.93 1itm h ASN 111 Cb 1.19 0.21 -0.16 0.00 0.27 0.00 0.00 38.32 39.83 1itm h ASN 111 CO -0.77 -0.50 -0.38 0.33 -0.37 0.00 0.00 177.43 175.74 1itm n PHE 112 N -4.92 0.05 0.23 0.67 7.35 -0.38 -0.98 117.46 119.48 1itm n PHE 112 Ca -0.12 1.21 -0.14 0.00 -0.76 0.00 0.00 57.45 57.64 1itm n PHE 112 Cb 0.37 -0.88 -0.08 0.00 0.35 0.00 0.00 39.48 39.25 1itm n PHE 112 CO 0.00 0.00 0.00 -0.07 -0.76 0.00 0.00 176.76 175.93 1itm h LEU 113 N 0.00 -1.07 -0.98 -2.13 3.38 -1.05 -1.91 115.31 111.54 1itm h LEU 113 Ca 0.35 0.09 0.25 0.00 0.09 0.00 0.00 57.88 58.65 1itm h LEU 113 Cb 0.59 0.35 -0.18 0.00 0.09 0.00 0.00 40.66 41.51 1itm h LEU 113 CO -0.98 -0.51 -0.06 -0.33 0.09 0.00 0.00 178.44 176.65 1itm h GLU 114 N -0.78 0.01 0.81 1.13 4.39 0.04 0.17 114.58 120.35 1itm h GLU 114 Ca -0.05 -0.00 -0.04 0.00 0.34 0.00 0.00 59.36 59.61 1itm h GLU 114 Cb 0.67 -0.00 0.00 0.00 -0.10 0.00 0.00 28.75 29.32 1itm h GLU 114 CO -0.05 0.00 -0.46 0.00 -1.16 0.00 0.00 179.01 177.35 1itm h ARG 115 N 0.01 -1.13 -0.57 2.33 3.08 -0.93 -1.48 114.38 115.68 1itm h ARG 115 Ca 0.55 0.08 0.11 0.00 0.07 0.00 0.00 59.98 60.79 1itm h ARG 115 Cb 1.06 0.26 -0.11 0.00 0.08 0.00 0.00 29.97 31.25 1itm h ARG 115 CO -0.95 -0.76 -0.26 1.25 -1.07 0.00 0.00 179.97 178.19 1itm h LEU 116 N -1.18 -0.89 -0.16 3.04 5.85 -0.28 -1.64 115.31 120.06 1itm h LEU 116 Ca -0.11 0.20 0.02 0.00 0.84 0.00 0.00 57.88 58.84 1itm h LEU 116 Cb 0.93 0.48 -0.05 0.00 0.37 0.00 0.00 40.66 42.39 1itm h LEU 116 CO 0.14 -0.27 -0.37 0.50 -0.34 0.00 0.00 178.44 178.10 1itm h LYS 117 N -0.11 -0.34 -0.32 1.25 3.64 -0.65 -1.35 116.57 118.69 1itm h LYS 117 Ca 0.25 0.02 0.05 0.00 -1.27 0.00 0.00 60.65 59.71 1itm h LYS 117 Cb 0.51 0.08 -0.08 0.00 -0.41 0.00 0.00 32.23 32.33 1itm h LYS 117 CO -0.64 -0.22 -0.49 1.15 -2.27 0.00 0.00 179.45 176.98 1itm h THR 118 N -0.35 0.06 -0.43 1.00 2.02 -0.69 -1.04 112.91 113.48 1itm h THR 118 Ca 0.03 0.00 0.04 0.00 0.77 0.00 0.00 66.41 67.25 1itm h THR 118 Cb 0.44 0.06 -0.06 0.00 -1.74 0.00 0.00 68.15 66.85 1itm h THR 118 CO -0.33 0.00 -0.37 0.40 0.37 0.00 0.00 175.52 175.58 1itm h ILE 119 N -0.42 0.00 -0.41 3.11 2.04 -0.88 -0.17 117.51 120.78 1itm h ILE 119 Ca 0.09 0.00 0.08 0.00 1.00 0.00 0.00 64.86 66.04 1itm h ILE 119 Cb 0.61 0.00 -0.09 0.00 -0.74 0.00 0.00 36.82 36.60 1itm h ILE 119 CO -0.54 0.00 -0.28 0.24 0.00 0.00 0.00 178.15 177.57 1itm h MET 120 N -0.15 -0.20 -0.38 2.37 2.86 -0.86 -0.64 114.93 117.93 1itm h MET 120 Ca 0.07 0.01 0.06 0.00 -2.06 0.00 0.00 59.70 57.78 1itm h MET 120 Cb 0.34 0.05 -0.05 0.00 0.06 0.00 0.00 31.60 31.99 1itm h MET 120 CO -0.49 -0.13 0.07 -0.09 1.06 0.00 0.00 176.91 177.33 1itm h ARG 121 N -0.21 0.18 0.14 1.72 2.43 -0.55 -0.10 114.38 118.00 1itm h ARG 121 Ca 0.19 -0.01 0.01 0.00 -0.81 0.00 0.00 59.98 59.36 1itm h ARG 121 Cb 0.51 -0.04 -0.02 0.00 -0.42 0.00 0.00 29.97 29.99 1itm h ARG 121 CO -0.53 0.12 -0.20 1.49 -1.51 0.00 0.00 179.97 179.34 1itm h GLU 122 N 0.19 -0.38 0.00 0.20 4.57 -0.29 -0.29 114.58 118.57 1itm h GLU 122 Ca 0.18 0.03 0.00 0.00 -1.18 0.00 0.00 59.36 58.39 1itm h GLU 122 Cb 0.22 0.09 0.00 0.00 -0.16 0.00 0.00 28.75 28.90 1itm h GLU 122 CO -0.25 -0.26 0.00 1.63 -1.18 0.00 0.00 179.01 178.96 1itm n LYS 123 N -5.33 0.48 -0.04 1.92 5.02 -0.32 -0.82 118.16 119.07 1itm n LYS 123 Ca -0.07 0.00 -0.22 0.00 -2.02 0.00 0.00 58.31 56.00 1itm n LYS 123 Cb 0.24 -1.39 -0.13 0.00 -0.02 0.00 0.00 35.03 33.73 1itm n LYS 123 CO 0.00 0.00 0.00 0.98 -0.52 0.00 0.00 177.40 177.86 1itm n TYR 124 N -0.89 1.02 -0.01 2.13 9.36 -0.11 -4.32 117.16 124.34 1itm n TYR 124 Ca 0.09 0.27 -0.17 0.00 3.32 0.00 0.00 57.90 61.41 1itm n TYR 124 Cb 0.04 -1.12 -0.14 0.00 -0.63 0.00 0.00 39.34 37.49 1itm n TYR 124 CO 0.00 0.00 0.00 0.43 0.22 0.00 0.00 176.86 177.51 1itm n SER 125 N -3.74 1.63 -2.50 2.98 7.64 -0.99 -2.74 113.62 115.90 1itm n SER 125 Ca -0.35 0.26 -0.32 0.00 1.01 0.00 0.00 58.87 59.48 1itm n SER 125 Cb 0.94 -0.52 0.02 0.00 -1.01 0.00 0.00 64.21 63.65 1itm n SER 125 CO 0.00 0.00 0.00 1.17 -3.01 0.00 0.00 175.04 173.20 1itm n LYS 126 N -3.30 2.49 0.00 1.43 4.81 -0.00 -4.37 118.16 119.22 1itm n LYS 126 Ca -0.27 -2.83 0.00 0.00 -0.87 0.00 0.00 58.31 54.34 1itm n LYS 126 Cb 1.05 -2.14 0.00 0.00 0.02 0.00 0.00 35.03 33.96 1itm n LYS 126 CO 0.00 0.00 0.00 0.00 1.17 0.00 0.00 177.40 178.57 1itm n SER 128 N -1.38 1.16 0.00 0.00 3.41 -1.26 -4.76 113.62 110.78 1itm n SER 128 Ca 0.00 -1.10 0.00 0.00 -0.26 0.00 0.00 58.87 57.51 1itm n SER 128 Cb 0.10 0.04 0.00 0.00 -0.26 0.00 0.00 64.21 64.09 1itm n SER 128 CO 0.00 0.00 0.00 -1.54 -0.16 0.00 0.00 175.04 173.34