#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1def n VAL 2 N 0.00 0.00 -3.24 -3.33 0.24 -1.26 -4.85 118.33 105.89 1def n VAL 2 Ca 0.00 0.00 -0.42 0.00 -2.04 0.00 0.00 64.34 61.88 1def n VAL 2 Cb 0.00 0.00 -0.01 0.00 -1.47 0.00 0.00 33.84 32.36 1def n VAL 2 CO 0.00 0.00 0.00 -0.11 -2.14 0.00 0.00 176.83 174.58 1def n LEU 3 N 0.00 5.62 -4.93 1.34 0.00 -1.26 -4.97 117.00 112.80 1def n LEU 3 Ca 0.00 -5.16 -0.30 0.00 0.00 0.00 0.00 56.01 50.56 1def n LEU 3 Cb 0.00 -1.29 -0.04 0.00 0.00 0.00 0.00 43.42 42.10 1def n LEU 3 CO 0.00 1.57 -0.13 -1.58 0.00 0.00 0.00 177.39 177.26 1def s GLN 4 N -2.02 3.45 0.41 1.96 2.00 -1.26 -4.56 119.66 119.63 1def s GLN 4 Ca 0.31 -0.47 0.05 0.00 -2.00 0.00 0.00 55.36 53.25 1def s GLN 4 Cb -0.02 -3.01 -0.06 0.00 0.80 0.00 0.00 33.01 30.72 1def s GLN 4 CO -0.00 0.58 0.02 0.08 -0.50 0.00 0.00 175.29 175.47 1def s VAL 5 N -1.59 1.62 -0.38 1.34 1.01 -1.26 -5.09 120.40 116.06 1def s VAL 5 Ca 0.35 -2.00 -0.12 0.00 0.00 0.00 0.00 61.98 60.21 1def s VAL 5 Cb -0.12 -2.78 0.02 0.00 0.00 0.00 0.00 36.38 33.50 1def s VAL 5 CO 0.28 0.00 0.23 -0.76 0.00 0.00 0.00 175.10 174.85 1def s LEU 6 N -3.69 4.79 -0.43 3.92 1.02 -1.26 -5.03 118.68 117.99 1def s LEU 6 Ca 0.30 -0.92 -0.07 0.00 0.02 0.00 0.00 54.13 53.46 1def s LEU 6 Cb 0.08 -2.06 0.11 0.00 0.02 0.00 0.00 46.19 44.33 1def s LEU 6 CO 0.15 -0.39 0.27 -1.00 0.02 0.00 0.00 176.35 175.40 1def s HIS 7 N 1.60 3.47 0.00 0.29 3.76 -1.26 -4.59 115.29 118.56 1def s HIS 7 Ca 0.03 -2.02 0.00 0.00 -0.15 0.00 0.00 55.06 52.92 1def s HIS 7 Cb -0.19 -3.27 0.00 0.00 1.11 0.00 0.00 32.58 30.23 1def s HIS 7 CO 0.08 -0.96 0.00 0.44 -0.85 0.00 0.00 174.74 173.45 1def n ILE 8 N 4.79 0.00 0.09 0.60 -0.00 -1.26 -4.79 119.36 118.78 1def n ILE 8 Ca -0.06 0.00 -0.04 0.00 -0.00 0.00 0.00 62.75 62.65 1def n ILE 8 Cb 0.41 0.00 -0.02 0.00 -0.00 0.00 0.00 39.64 40.03 1def n ILE 8 CO 0.00 0.00 0.00 -0.65 -0.00 0.00 0.00 176.55 175.90 1def h PRO 9 N 0.00 -0.25 0.00 6.28 0.11 -1.92 -3.41 132.00 132.81 1def h PRO 9 Ca 0.00 0.02 0.00 0.00 0.11 0.00 0.00 66.00 66.13 1def h PRO 9 Cb 0.00 0.06 0.00 0.00 0.11 0.00 0.00 31.00 31.17 1def h PRO 9 CO 0.00 -0.17 0.00 -3.47 -0.21 0.00 0.00 178.00 174.15 1def n ASP 10 N -3.52 0.00 0.00 -2.05 -0.08 -1.26 -3.44 116.55 106.20 1def n ASP 10 Ca -0.03 0.00 0.00 0.00 -1.51 0.00 0.00 54.79 53.25 1def n ASP 10 Cb 0.10 0.00 0.00 0.00 2.34 0.00 0.00 41.12 43.56 1def n ASP 10 CO 0.00 0.00 0.00 1.21 0.12 0.00 0.00 177.20 178.53 1def n GLU 11 N -2.50 0.00 0.00 -0.67 2.13 -1.26 -4.72 120.64 113.62 1def n GLU 11 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 1def n GLU 11 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 1def n GLU 11 CO 0.00 0.00 0.00 2.89 -0.41 0.00 0.00 177.13 179.61 1def n ARG 12 N 0.00 0.00 -0.07 5.31 1.85 -0.92 -4.70 116.66 118.13 1def n ARG 12 Ca 0.00 0.00 -0.21 0.00 -1.00 0.00 0.00 57.85 56.64 1def n ARG 12 Cb 0.00 0.00 -0.13 0.00 -1.05 0.00 0.00 32.46 31.28 1def n ARG 12 CO 0.00 0.00 0.00 1.28 -0.01 0.00 0.00 177.63 178.90 1def n LEU 13 N 0.00 2.69 -1.60 2.89 7.99 -1.24 -4.74 117.00 122.99 1def n LEU 13 Ca 0.00 0.08 0.04 0.00 -0.01 0.00 0.00 56.01 56.12 1def n LEU 13 Cb 0.00 -1.00 0.03 0.00 -0.11 0.00 0.00 43.42 42.34 1def n LEU 13 CO 0.00 0.83 0.06 0.54 -1.51 0.00 0.00 177.39 177.32 1def n ARG 14 N -3.51 0.22 -0.06 3.23 3.00 -1.26 -4.96 116.66 113.32 1def n ARG 14 Ca -0.40 -2.19 -0.00 0.00 -0.01 0.00 0.00 57.85 55.25 1def n ARG 14 Cb 0.99 -0.21 0.00 0.00 0.00 0.00 0.00 32.46 33.24 1def n ARG 14 CO 0.00 0.00 0.00 1.63 0.00 0.00 0.00 177.63 179.26 1def n LYS 15 N 0.34 -0.04 -1.52 5.56 4.01 -1.26 -4.17 118.16 121.08 1def n LYS 15 Ca 0.07 0.25 -0.44 0.00 -0.51 0.00 0.00 58.31 57.67 1def n LYS 15 Cb 1.10 -0.37 -0.06 0.00 -0.51 0.00 0.00 35.03 35.20 1def n LYS 15 CO 0.00 0.00 0.00 0.28 -1.11 0.00 0.00 177.40 176.57 1def n VAL 16 N -4.23 0.15 0.00 -0.18 0.31 -1.26 -4.55 118.33 108.57 1def n VAL 16 Ca 0.01 -0.42 0.00 0.00 -0.01 0.00 0.00 64.34 63.92 1def n VAL 16 Cb 0.06 -2.08 0.00 0.00 -0.91 0.00 0.00 33.84 30.91 1def n VAL 16 CO 0.00 0.00 0.00 0.00 -1.32 0.00 0.00 176.83 175.51 1def n ALA 17 N 11.85 -0.21 -3.91 3.52 0.00 -1.26 -4.94 120.51 125.56 1def n ALA 17 Ca 0.39 0.00 -0.30 0.00 0.00 0.00 0.00 53.44 53.53 1def n ALA 17 Cb 0.35 0.00 -0.13 0.00 0.00 0.00 0.00 19.45 19.67 1def n ALA 17 CO 0.00 0.00 0.00 0.21 0.00 0.00 0.00 177.50 177.71 1def s LYS 18 N 0.00 2.20 0.77 0.00 2.20 0.55 -5.05 119.74 120.41 1def s LYS 18 Ca 0.00 -2.84 -0.16 0.00 -0.36 0.00 0.00 55.97 52.62 1def s LYS 18 Cb 0.00 -3.40 -0.04 0.00 -1.51 0.00 0.00 37.83 32.88 1def s LYS 18 CO 0.00 -1.17 0.37 -0.35 -0.36 0.00 0.00 175.35 173.84 1def n PRO 19 N 2.80 0.16 -4.41 4.03 -0.04 -1.26 -4.37 135.00 131.91 1def n PRO 19 Ca 0.10 0.09 -0.21 0.00 -0.04 0.00 0.00 63.50 63.44 1def n PRO 19 Cb 0.33 -1.72 -0.10 0.00 -0.04 0.00 0.00 33.50 31.97 1def n PRO 19 CO 0.00 0.00 0.00 0.08 -0.04 0.00 0.00 175.50 175.54 1def s VAL 20 N -2.01 1.86 0.00 0.52 1.01 -1.26 -4.96 120.40 115.56 1def s VAL 20 Ca 0.62 -2.21 0.00 0.00 0.00 0.00 0.00 61.98 60.38 1def s VAL 20 Cb -0.32 -2.28 0.00 0.00 0.00 0.00 0.00 36.38 33.78 1def s VAL 20 CO 0.62 -0.43 0.00 -0.62 0.00 0.00 0.00 175.10 174.67 1def n GLU 21 N -0.52 0.00 -4.55 2.72 1.02 -1.26 -4.88 120.64 113.17 1def n GLU 21 Ca -0.06 0.00 -0.25 0.00 -0.02 0.00 0.00 57.16 56.82 1def n GLU 21 Cb 0.62 -0.46 -0.10 0.00 -0.02 0.00 0.00 31.44 31.48 1def n GLU 21 CO 0.00 0.00 0.00 -1.21 1.18 0.00 0.00 177.13 177.10 1def s GLU 22 N -1.87 1.84 0.28 3.49 8.01 -1.26 -4.94 118.70 124.25 1def s GLU 22 Ca 0.00 -2.05 0.07 0.00 0.01 0.00 0.00 54.97 53.00 1def s GLU 22 Cb 0.00 -1.22 -0.03 0.00 -4.31 0.00 0.00 34.13 28.57 1def s GLU 22 CO 0.00 -0.16 0.26 0.08 0.01 0.00 0.00 175.26 175.45 1def s VAL 23 N -3.02 4.22 0.00 2.63 1.01 -1.26 -5.05 120.40 118.93 1def s VAL 23 Ca 0.33 -1.32 0.00 0.00 0.00 0.00 0.00 61.98 60.98 1def s VAL 23 Cb 0.08 -3.38 0.00 0.00 0.00 0.00 0.00 36.38 33.08 1def s VAL 23 CO 0.15 -0.28 0.00 -0.46 0.00 0.00 0.00 175.10 174.51 1def n ASN 24 N -1.29 0.24 -2.24 3.32 6.94 -1.26 -5.04 115.26 115.93 1def n ASN 24 Ca -0.06 0.00 -0.31 0.00 -0.02 0.00 0.00 54.58 54.19 1def n ASN 24 Cb 0.58 0.00 0.09 0.00 -2.36 0.00 0.00 39.78 38.09 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -1.03 0.00 0.00 177.26 176.23 1def n ALA 25 N -3.00 6.02 0.00 -2.53 0.00 -1.26 -4.17 120.51 115.57 1def n ALA 25 Ca 0.00 -3.44 0.00 0.00 0.00 0.00 0.00 53.44 50.00 1def n ALA 25 Cb 0.00 -1.52 0.00 0.00 0.00 0.00 0.00 19.45 17.93 1def n ALA 25 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1def n GLU 26 N -0.93 0.00 -0.31 0.00 4.07 -1.26 -4.81 120.64 117.40 1def n GLU 26 Ca 0.59 0.00 0.18 0.00 -0.06 0.00 0.00 57.16 57.87 1def n GLU 26 Cb 0.83 -0.52 0.35 0.00 -0.06 0.00 0.00 31.44 32.04 1def n GLU 26 CO 0.00 0.00 0.00 -0.89 -0.06 0.00 0.00 177.13 176.18 1def n ILE 27 N -2.29 -0.38 -0.07 6.31 2.08 -1.26 0.68 119.36 124.43 1def n ILE 27 Ca 0.00 1.95 -0.08 0.00 0.56 0.00 0.00 62.75 65.19 1def n ILE 27 Cb 0.23 -2.95 -0.01 0.00 -0.75 0.00 0.00 39.64 36.17 1def n ILE 27 CO 0.00 0.00 0.00 0.06 0.56 0.00 0.00 176.55 177.17 1def h GLN 28 N 0.00 0.20 0.00 0.38 -0.00 -1.87 0.18 115.11 114.00 1def h GLN 28 Ca 0.62 -0.01 0.00 0.00 -0.00 0.00 0.00 58.65 59.26 1def h GLN 28 Cb 1.41 -0.05 0.00 0.00 -0.00 0.00 0.00 27.48 28.85 1def h GLN 28 CO -0.81 0.13 0.00 -2.13 -0.00 0.00 0.00 178.83 176.03 1def n ARG 29 N -5.04 0.03 0.10 0.06 0.63 0.21 0.17 116.66 112.83 1def n ARG 29 Ca -0.01 0.23 -0.23 0.00 -0.92 0.00 0.00 57.85 56.93 1def n ARG 29 Cb 0.10 -1.50 -0.15 0.00 0.45 0.00 0.00 32.46 31.36 1def n ARG 29 CO 0.00 0.00 0.00 0.82 -2.51 0.00 0.00 177.63 175.94 1def h ILE 30 N 0.00 1.13 0.00 5.15 1.08 -0.40 -1.09 117.51 123.38 1def h ILE 30 Ca 0.00 -2.65 0.00 0.00 -0.39 0.00 0.00 64.86 61.82 1def h ILE 30 Cb 0.24 2.88 0.00 0.00 -3.07 0.00 0.00 36.82 36.88 1def h ILE 30 CO 0.00 0.84 0.00 0.52 -0.69 0.00 0.00 178.15 178.82 1def n VAL 31 N -3.62 0.00 -0.33 1.67 0.31 -0.58 -1.20 118.33 114.58 1def n VAL 31 Ca -0.20 0.92 0.27 0.00 -0.01 0.00 0.00 64.34 65.32 1def n VAL 31 Cb 1.08 -1.85 0.57 0.00 -0.91 0.00 0.00 33.84 32.74 1def n VAL 31 CO 0.00 0.00 0.00 0.44 -1.32 0.00 0.00 176.83 175.95 1def h ASP 32 N 0.00 0.33 0.24 4.52 5.19 -0.45 0.04 116.42 126.30 1def h ASP 32 Ca 0.00 0.07 0.00 0.00 -0.62 0.00 0.00 57.03 56.48 1def h ASP 32 Cb 0.00 0.02 0.00 0.00 0.18 0.00 0.00 39.33 39.53 1def h ASP 32 CO 0.00 0.04 -0.81 -0.67 -3.12 0.00 0.00 179.24 174.69 1def n ASP 33 N -4.54 0.75 0.13 6.45 -0.08 -0.41 -2.24 116.55 116.61 1def n ASP 33 Ca 0.26 -0.61 0.13 0.00 -1.51 0.00 0.00 54.79 53.05 1def n ASP 33 Cb 1.00 0.68 0.28 0.00 2.34 0.00 0.00 41.12 45.43 1def n ASP 33 CO 0.00 0.00 0.00 -0.03 0.12 0.00 0.00 177.20 177.29 1def h MET 34 N 0.00 0.00 0.03 -0.67 4.05 0.48 -0.76 114.93 118.06 1def h MET 34 Ca 0.00 0.00 -0.00 0.00 -0.28 0.00 0.00 59.70 59.42 1def h MET 34 Cb 0.52 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.32 1def h MET 34 CO 0.00 0.00 -0.02 0.74 0.23 0.00 0.00 176.91 177.86 1def h PHE 35 N 0.00 -0.04 -1.55 1.39 0.04 -1.36 0.89 116.94 116.32 1def h PHE 35 Ca 0.00 -0.00 0.45 0.00 2.80 0.00 0.00 57.97 61.22 1def h PHE 35 Cb 0.82 0.01 -0.06 0.00 2.20 0.00 0.00 35.95 38.92 1def h PHE 35 CO 0.00 0.64 1.15 0.93 -0.60 0.00 0.00 178.31 180.43 1def h GLU 36 N -0.90 0.00 0.00 1.51 5.08 -1.14 0.11 114.58 119.25 1def h GLU 36 Ca -0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1def h GLU 36 Cb 0.70 0.00 0.00 0.00 0.50 0.00 0.00 28.75 29.95 1def h GLU 36 CO 0.01 0.00 0.00 2.41 -1.00 0.00 0.00 179.01 180.43 1def n THR 37 N -4.00 0.00 -0.21 1.13 -1.04 -0.32 -2.33 114.28 107.52 1def n THR 37 Ca 0.34 0.31 0.19 0.00 -2.04 0.00 0.00 64.05 62.85 1def n THR 37 Cb 1.63 -1.17 0.32 0.00 -1.82 0.00 0.00 70.33 69.29 1def n THR 37 CO 0.00 0.00 0.00 0.80 -0.64 0.00 0.00 175.07 175.23 1def n MET 38 N -1.86 -0.02 0.01 -2.82 0.00 0.31 0.13 117.12 112.86 1def n MET 38 Ca 0.00 0.63 -0.21 0.00 -0.00 0.00 0.00 57.70 58.12 1def n MET 38 Cb 0.00 -1.21 -0.14 0.00 0.00 0.00 0.00 33.22 31.87 1def n MET 38 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 175.97 176.63 1def n TYR 39 N -3.78 1.27 0.03 1.12 4.01 0.37 -4.34 117.16 115.84 1def n TYR 39 Ca 0.19 0.27 0.05 0.00 -0.16 0.00 0.00 57.90 58.25 1def n TYR 39 Cb 0.73 -1.17 0.23 0.00 -0.31 0.00 0.00 39.34 38.82 1def n TYR 39 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1def n ALA 40 N -2.99 3.13 -0.01 -0.72 0.00 0.34 -4.58 120.51 115.68 1def n ALA 40 Ca -0.31 -1.06 -0.02 0.00 0.00 0.00 0.00 53.44 52.05 1def n ALA 40 Cb 1.05 -1.05 -0.01 0.00 0.00 0.00 0.00 19.45 19.44 1def n ALA 40 CO 0.00 0.00 0.00 0.39 0.00 0.00 0.00 177.50 177.89 1def n GLU 41 N 0.47 0.12 0.00 0.00 -0.58 -0.48 -4.96 120.64 115.21 1def n GLU 41 Ca 0.16 0.05 0.00 0.00 -0.42 0.00 0.00 57.16 56.95 1def n GLU 41 Cb 0.72 -0.59 0.00 0.00 -0.57 0.00 0.00 31.44 31.00 1def n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.48 0.00 0.00 177.13 174.74 1def n GLU 42 N -3.08 0.00 0.00 3.49 2.13 -1.26 -4.57 120.64 117.35 1def n GLU 42 Ca -0.03 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.79 1def n GLU 42 Cb 0.12 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.83 1def n GLU 42 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1def n GLY 43 N -0.04 -0.00 0.13 8.31 0.00 -1.26 -5.07 105.19 107.26 1def n GLY 43 Ca 0.00 -0.34 -0.15 0.00 0.00 0.00 0.00 46.02 45.53 1def n GLY 43 CO 0.00 0.00 0.00 0.29 0.00 0.00 0.00 173.32 173.61 1def n ILE 44 N 0.00 1.14 0.00 -0.61 -6.64 -1.26 -5.09 119.36 106.90 1def n ILE 44 Ca 0.00 -0.42 0.00 0.00 -1.77 0.00 0.00 62.75 60.56 1def n ILE 44 Cb 0.00 -1.27 0.00 0.00 -1.44 0.00 0.00 39.64 36.93 1def n ILE 44 CO 0.00 0.00 0.00 0.61 -1.77 0.00 0.00 176.55 175.39 1def n GLY 45 N 2.46 0.95 3.31 3.28 0.00 -1.26 -4.66 105.19 109.26 1def n GLY 45 Ca -0.36 -0.51 -0.26 0.00 0.00 0.00 0.00 46.02 44.89 1def n GLY 45 CO 0.00 0.00 0.00 -2.27 0.00 0.00 0.00 173.32 171.05 1def s LEU 46 N 0.00 2.26 0.00 0.99 2.96 -1.26 -4.93 118.68 118.70 1def s LEU 46 Ca 0.00 -0.66 0.03 0.00 -0.22 0.00 0.00 54.13 53.28 1def s LEU 46 Cb 0.00 -1.03 0.03 0.00 0.50 0.00 0.00 46.19 45.69 1def s LEU 46 CO 0.00 0.13 0.26 0.00 -1.32 0.00 0.00 176.35 175.42 1def n ALA 47 N 1.27 0.51 -3.81 5.97 0.00 -1.26 -4.73 120.51 118.46 1def n ALA 47 Ca -0.18 -1.28 -0.30 0.00 0.00 0.00 0.00 53.44 51.68 1def n ALA 47 Cb 0.53 0.52 -0.10 0.00 0.00 0.00 0.00 19.45 20.39 1def n ALA 47 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.50 177.50 1def n ALA 48 N -2.35 3.56 0.00 0.00 0.00 -1.26 -4.94 120.51 115.52 1def n ALA 48 Ca -0.10 -4.57 0.00 0.00 0.00 0.00 0.00 53.44 48.77 1def n ALA 48 Cb 0.36 -1.18 0.00 0.00 0.00 0.00 0.00 19.45 18.64 1def n ALA 48 CO 0.00 0.00 0.00 -2.37 0.00 0.00 0.00 177.50 175.13 1def n THR 49 N 1.95 0.00 0.00 0.00 5.66 -1.26 -4.84 114.28 115.79 1def n THR 49 Ca 0.21 0.00 0.00 0.00 -3.05 0.00 0.00 64.05 61.21 1def n THR 49 Cb 0.36 0.00 0.00 0.00 -1.55 0.00 0.00 70.33 69.14 1def n THR 49 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 175.07 172.02 1def n GLN 50 N -1.66 0.00 0.00 1.09 6.02 -1.21 -4.95 117.38 116.67 1def n GLN 50 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 57.00 56.99 1def n GLN 50 Cb 0.00 0.00 0.00 0.00 1.02 0.00 0.00 30.24 31.26 1def n GLN 50 CO 0.00 0.00 0.00 0.28 -1.01 0.00 0.00 177.06 176.33 1def n VAL 51 N 0.00 0.00 -1.96 5.09 0.31 -1.26 -2.16 118.33 118.35 1def n VAL 51 Ca 0.00 0.13 -0.06 0.00 -0.01 0.00 0.00 64.34 64.40 1def n VAL 51 Cb 0.00 -0.67 -0.06 0.00 -0.91 0.00 0.00 33.84 32.19 1def n VAL 51 CO 0.00 0.00 0.00 -0.67 -1.32 0.00 0.00 176.83 174.84 1def n ASP 52 N -1.22 -0.89 -3.82 4.52 2.03 -1.26 -2.29 116.55 113.62 1def n ASP 52 Ca 0.00 -1.82 -0.12 0.00 0.52 0.00 0.00 54.79 53.37 1def n ASP 52 Cb 0.00 0.27 -0.12 0.00 -0.72 0.00 0.00 41.12 40.55 1def n ASP 52 CO 0.00 0.00 0.00 -0.63 -1.92 0.00 0.00 177.20 174.65 1def s ILE 53 N 0.00 0.01 -0.37 5.18 -1.09 -1.26 -4.95 121.20 118.73 1def s ILE 53 Ca 0.00 -0.10 0.12 0.00 -2.23 0.00 0.00 60.65 58.45 1def s ILE 53 Cb 0.00 -0.29 0.41 0.00 -1.58 0.00 0.00 42.46 41.00 1def s ILE 53 CO 0.00 -0.05 1.17 1.41 -1.23 0.00 0.00 174.94 176.24 1def n HIS 54 N 2.75 -1.01 -3.10 3.97 8.25 -1.26 -3.30 115.22 121.52 1def n HIS 54 Ca -0.14 -2.32 -0.18 0.00 -0.26 0.00 0.00 57.72 54.82 1def n HIS 54 Cb 0.58 0.78 0.02 0.00 1.12 0.00 0.00 29.99 32.50 1def n HIS 54 CO 0.00 0.00 0.00 -0.65 0.64 0.00 0.00 176.34 176.33 1def s GLN 55 N -1.16 2.62 0.16 -0.41 -0.21 -1.26 -0.33 119.66 119.06 1def s GLN 55 Ca 0.24 -1.42 -0.02 0.00 0.02 0.00 0.00 55.36 54.18 1def s GLN 55 Cb 0.42 -2.67 0.03 0.00 1.00 0.00 0.00 33.01 31.79 1def s GLN 55 CO -0.04 -0.46 0.07 2.89 -2.12 0.00 0.00 175.29 175.63 1def n ARG 56 N -1.94 -0.41 -2.16 2.91 1.85 -1.26 -4.68 116.66 110.96 1def n ARG 56 Ca 0.10 -0.12 0.00 0.00 -1.00 0.00 0.00 57.85 56.83 1def n ARG 56 Cb 0.60 -0.23 0.00 0.00 -1.05 0.00 0.00 32.46 31.79 1def n ARG 56 CO 0.00 0.00 0.00 -0.89 -0.01 0.00 0.00 177.63 176.73 1def n ILE 57 N -2.85 -0.29 -3.97 8.89 5.41 -1.14 -4.80 119.36 120.61 1def n ILE 57 Ca 0.01 0.00 -0.00 0.00 1.00 0.00 0.00 62.75 63.76 1def n ILE 57 Cb 0.05 -1.68 -0.00 0.00 -0.71 0.00 0.00 39.64 37.30 1def n ILE 57 CO 0.00 0.00 0.00 2.30 0.00 0.00 0.00 176.55 178.85 1def n ILE 58 N 2.11 0.00 -4.32 1.39 -5.35 0.89 -2.80 119.36 111.28 1def n ILE 58 Ca 0.00 -0.03 -0.17 0.00 -0.27 0.00 0.00 62.75 62.29 1def n ILE 58 Cb 0.00 0.01 -0.10 0.00 -1.74 0.00 0.00 39.64 37.81 1def n ILE 58 CO 0.00 0.00 0.00 0.68 -1.76 0.00 0.00 176.55 175.47 1def s VAL 59 N -2.05 0.77 0.02 7.28 -7.23 -1.26 0.14 120.40 118.08 1def s VAL 59 Ca 0.00 -2.00 -0.17 0.00 -1.81 0.00 0.00 61.98 58.00 1def s VAL 59 Cb 0.00 -2.47 0.03 0.00 0.56 0.00 0.00 36.38 34.50 1def s VAL 59 CO 0.00 -0.18 0.37 0.27 -0.31 0.00 0.00 175.10 175.25 1def s ILE 60 N -3.60 0.06 0.05 -0.62 -4.36 -0.54 -4.63 121.20 107.55 1def s ILE 60 Ca 0.32 -0.50 0.01 0.00 -0.26 0.00 0.00 60.65 60.22 1def s ILE 60 Cb 0.07 -0.87 -0.03 0.00 1.25 0.00 0.00 42.46 42.88 1def s ILE 60 CO 0.11 -0.28 -0.05 -1.81 0.24 0.00 0.00 174.94 173.15 1def s ASP 61 N -1.81 0.63 -0.24 4.36 1.01 -1.26 0.02 116.67 119.39 1def s ASP 61 Ca -0.08 -0.74 0.18 0.00 0.71 0.00 0.00 52.55 52.62 1def s ASP 61 Cb -0.02 0.11 0.48 0.00 1.01 0.00 0.00 42.92 44.50 1def s ASP 61 CO -0.00 -0.39 1.15 0.52 0.21 0.00 0.00 175.17 176.66 1def n VAL 62 N 0.86 1.58 -0.08 -1.27 0.31 -1.26 -4.82 118.33 113.65 1def n VAL 62 Ca -0.19 -3.13 -0.02 0.00 -0.01 0.00 0.00 64.34 60.99 1def n VAL 62 Cb 0.58 0.43 -0.02 0.00 -0.91 0.00 0.00 33.84 33.92 1def n VAL 62 CO 0.00 0.00 0.00 -1.54 -1.32 0.00 0.00 176.83 173.97 1def n SER 63 N -0.55 -0.19 -2.09 4.52 3.41 -1.26 -4.24 113.62 113.22 1def n SER 63 Ca 0.19 0.56 0.00 0.00 -0.26 0.00 0.00 58.87 59.36 1def n SER 63 Cb 0.88 -0.16 0.00 0.00 -0.26 0.00 0.00 64.21 64.67 1def n SER 63 CO 0.00 0.00 0.00 1.21 -0.16 0.00 0.00 175.04 176.09 1def n GLU 64 N -3.33 0.00 0.00 4.33 0.00 -1.26 -1.87 120.64 118.51 1def n GLU 64 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57.16 57.16 1def n GLU 64 Cb 0.05 0.00 0.00 0.00 0.00 0.00 0.00 31.44 31.49 1def n GLU 64 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.13 177.22 1def n ASN 65 N 0.50 0.00 0.00 4.31 4.13 -1.26 -4.97 115.26 117.97 1def n ASN 65 Ca 0.00 0.00 0.00 0.00 1.68 0.00 0.00 54.58 56.26 1def n ASN 65 Cb 0.00 0.00 0.00 0.00 -1.54 0.00 0.00 39.78 38.24 1def n ASN 65 CO 0.00 0.00 0.00 0.54 0.28 0.00 0.00 177.26 178.08 1def n ARG 66 N 0.00 3.49 -4.76 3.52 1.74 -0.78 -5.13 116.66 114.74 1def n ARG 66 Ca 0.00 0.00 -0.26 0.00 -0.77 0.00 0.00 57.85 56.82 1def n ARG 66 Cb 0.00 0.00 -0.17 0.00 -1.02 0.00 0.00 32.46 31.27 1def n ARG 66 CO 0.00 0.00 0.00 0.16 -1.52 0.00 0.00 177.63 176.27 1def s ASP 67 N 0.62 2.11 0.00 0.55 -4.77 -1.25 -4.18 116.67 109.74 1def s ASP 67 Ca 0.00 -0.36 0.07 0.00 -3.30 0.00 0.00 52.55 48.95 1def s ASP 67 Cb 0.00 -0.91 0.14 0.00 -1.09 0.00 0.00 42.92 41.06 1def s ASP 67 CO 0.00 0.08 1.00 -0.62 0.70 0.00 0.00 175.17 176.33 1def n GLU 68 N 3.64 1.90 -0.49 2.11 4.71 -1.26 -4.85 120.64 126.39 1def n GLU 68 Ca -0.21 -1.52 -0.13 0.00 -0.01 0.00 0.00 57.16 55.29 1def n GLU 68 Cb 0.52 -1.15 -0.05 0.00 -1.01 0.00 0.00 31.44 29.75 1def n GLU 68 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1def n ARG 69 N 0.21 0.00 -2.18 3.49 0.63 -1.26 -4.19 116.66 113.37 1def n ARG 69 Ca 0.06 0.00 -0.10 0.00 -0.92 0.00 0.00 57.85 56.89 1def n ARG 69 Cb 0.29 -0.49 0.01 0.00 0.45 0.00 0.00 32.46 32.72 1def n ARG 69 CO 0.00 0.00 0.00 -0.11 -2.51 0.00 0.00 177.63 175.01 1def n LEU 70 N 3.44 0.00 -4.49 6.15 7.94 0.10 -4.94 117.00 125.20 1def n LEU 70 Ca 0.22 -1.12 -0.24 0.00 -1.11 0.00 0.00 56.01 53.75 1def n LEU 70 Cb 0.01 -0.09 -0.10 0.00 0.53 0.00 0.00 43.42 43.77 1def n LEU 70 CO 0.31 -0.48 -0.43 -0.69 -1.11 0.00 0.00 177.39 174.99 1def s VAL 71 N -0.84 2.25 0.34 1.96 1.01 -1.26 -1.46 120.40 122.39 1def s VAL 71 Ca 0.19 -2.29 0.04 0.00 0.00 0.00 0.00 61.98 59.92 1def s VAL 71 Cb -0.01 -2.44 -0.07 0.00 0.00 0.00 0.00 36.38 33.86 1def s VAL 71 CO 0.12 -0.32 0.05 -0.22 0.00 0.00 0.00 175.10 174.73 1def s LEU 72 N -3.53 2.28 0.00 3.92 0.20 0.12 -4.63 118.68 117.04 1def s LEU 72 Ca 0.30 -1.37 0.00 0.00 0.69 0.00 0.00 54.13 53.75 1def s LEU 72 Cb -0.01 -0.45 0.00 0.00 -0.43 0.00 0.00 46.19 45.30 1def s LEU 72 CO 0.15 -0.58 0.00 2.30 -0.29 0.00 0.00 176.35 177.92 1def n ILE 73 N -0.72 0.00 -1.50 6.68 -0.00 -1.26 -0.07 119.36 122.48 1def n ILE 73 Ca -0.03 0.00 0.00 0.00 -0.00 0.00 0.00 62.75 62.72 1def n ILE 73 Cb 0.67 0.00 0.00 0.00 -0.00 0.00 0.00 39.64 40.31 1def n ILE 73 CO 0.00 0.00 0.00 -0.46 -0.00 0.00 0.00 176.55 176.09 1def n ASN 74 N -0.51 0.00 -0.30 7.28 2.04 -1.26 -4.65 115.26 117.86 1def n ASN 74 Ca 0.00 -1.41 0.00 0.00 -0.44 0.00 0.00 54.58 52.73 1def n ASN 74 Cb 0.00 -0.08 0.00 0.00 -2.53 0.00 0.00 39.78 37.17 1def n ASN 74 CO 0.00 0.00 0.00 -0.81 -0.44 0.00 0.00 177.26 176.01 1def n PRO 75 N 0.00 3.45 -4.13 -0.53 -0.04 -1.26 -4.25 135.00 128.24 1def n PRO 75 Ca 0.00 0.00 -0.35 0.00 -0.04 0.00 0.00 63.50 63.11 1def n PRO 75 Cb 0.58 0.00 -0.08 0.00 -0.04 0.00 0.00 33.50 33.96 1def n PRO 75 CO 0.00 0.00 0.00 -1.21 -0.04 0.00 0.00 175.50 174.25 1def s GLU 76 N 2.83 3.18 0.37 0.54 2.02 -0.80 -4.75 118.70 122.08 1def s GLU 76 Ca 0.00 -0.31 0.07 0.00 0.02 0.00 0.00 54.97 54.75 1def s GLU 76 Cb 0.00 -2.96 -0.01 0.00 0.10 0.00 0.00 34.13 31.25 1def s GLU 76 CO 0.00 0.72 0.43 -0.51 0.02 0.00 0.00 175.26 175.93 1def s LEU 77 N -1.10 3.72 0.08 1.80 1.43 -1.26 -1.68 118.68 121.67 1def s LEU 77 Ca 0.16 -0.40 0.00 0.00 -1.03 0.00 0.00 54.13 52.85 1def s LEU 77 Cb -0.12 -2.49 0.00 0.00 0.03 0.00 0.00 46.19 43.61 1def s LEU 77 CO 0.05 -0.52 0.00 -0.11 0.23 0.00 0.00 176.35 176.00 1def n LEU 78 N -1.60 0.09 -4.45 1.79 7.94 -0.23 -4.70 117.00 115.84 1def n LEU 78 Ca 0.02 0.13 -0.26 0.00 -1.11 0.00 0.00 56.01 54.80 1def n LEU 78 Cb 0.59 0.06 -0.11 0.00 0.53 0.00 0.00 43.42 44.49 1def n LEU 78 CO 0.41 -0.60 -0.51 -0.70 -1.11 0.00 0.00 177.39 174.89 1def s GLU 79 N -1.35 1.60 -0.26 1.96 -6.30 0.74 -4.94 118.70 110.15 1def s GLU 79 Ca 0.00 -1.64 -0.01 0.00 -2.50 0.00 0.00 54.97 50.82 1def s GLU 79 Cb 0.00 -1.81 0.14 0.00 0.00 0.00 0.00 34.13 32.46 1def s GLU 79 CO 0.00 0.37 0.37 -1.59 0.02 0.00 0.00 175.26 174.43 1def s LYS 80 N -3.06 0.36 0.16 4.30 -2.85 -1.26 -0.38 119.74 117.01 1def s LYS 80 Ca 0.25 0.37 0.07 0.00 -1.00 0.00 0.00 55.97 55.66 1def s LYS 80 Cb -0.07 -0.47 -0.04 0.00 -2.06 0.00 0.00 37.83 35.19 1def s LYS 80 CO 0.12 -0.77 0.02 -1.54 0.10 0.00 0.00 175.35 173.28 1def s SER 81 N 2.53 4.89 0.00 0.03 1.04 0.66 -5.01 113.70 117.83 1def s SER 81 Ca 0.12 -0.34 0.00 0.00 0.48 0.00 0.00 55.95 56.20 1def s SER 81 Cb -0.15 -1.09 0.00 0.00 0.10 0.00 0.00 66.02 64.89 1def s SER 81 CO -0.21 0.09 0.00 0.61 0.98 0.00 0.00 173.24 174.72 1def n GLY 82 N -0.08 0.00 2.90 7.32 0.00 -1.26 -2.36 105.19 111.70 1def n GLY 82 Ca -0.10 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.64 1def n GLY 82 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1def s GLU 83 N -0.60 1.51 0.31 1.61 2.02 -1.26 -0.25 118.70 122.03 1def s GLU 83 Ca 0.00 -0.50 0.04 0.00 0.02 0.00 0.00 54.97 54.53 1def s GLU 83 Cb 0.00 -1.98 -0.06 0.00 0.10 0.00 0.00 34.13 32.19 1def s GLU 83 CO 0.00 -0.40 0.04 -0.08 0.02 0.00 0.00 175.26 174.84 1def s THR 84 N 1.62 1.20 0.33 3.63 -1.32 -1.16 -4.64 115.64 115.29 1def s THR 84 Ca 0.01 -2.02 0.03 0.00 -1.21 0.00 0.00 61.69 58.51 1def s THR 84 Cb -0.15 -2.70 -0.06 0.00 -1.51 0.00 0.00 72.50 68.08 1def s THR 84 CO -0.08 -0.07 0.07 -0.83 -2.21 0.00 0.00 174.62 171.51 1def s GLY 85 N -3.46 2.10 0.15 6.08 0.00 -1.24 -1.06 107.32 109.89 1def s GLY 85 Ca 0.35 -1.92 0.06 0.00 0.00 0.00 0.00 44.72 43.22 1def s GLY 85 CO 0.14 -1.79 -0.14 -0.26 0.00 0.00 0.00 173.10 171.05 1def s ILE 86 N -3.35 1.48 -1.09 0.90 -4.36 -1.26 -4.90 121.20 108.61 1def s ILE 86 Ca 0.35 -1.93 -0.15 0.00 -0.26 0.00 0.00 60.65 58.66 1def s ILE 86 Cb 0.08 -1.76 0.18 0.00 1.25 0.00 0.00 42.46 42.21 1def s ILE 86 CO 0.15 -0.50 1.25 -1.61 0.24 0.00 0.00 174.94 174.47 1def s GLU 87 N -3.12 3.93 0.00 0.37 2.02 -1.26 -3.83 118.70 116.81 1def s GLU 87 Ca 0.15 -2.42 0.00 0.00 0.02 0.00 0.00 54.97 52.72 1def s GLU 87 Cb -0.03 -4.91 0.00 0.00 0.10 0.00 0.00 34.13 29.29 1def s GLU 87 CO 0.04 -1.67 0.00 -1.91 0.02 0.00 0.00 175.26 171.74 1def n GLU 88 N 5.41 2.75 -3.97 1.61 4.07 -0.81 -4.92 120.64 124.79 1def n GLU 88 Ca 0.30 0.00 -0.25 0.00 -0.06 0.00 0.00 57.16 57.15 1def n GLU 88 Cb 0.44 0.00 -0.17 0.00 -0.06 0.00 0.00 31.44 31.65 1def n GLU 88 CO 0.00 0.00 0.00 0.20 -0.06 0.00 0.00 177.13 177.27 1def s GLY 89 N 0.00 0.68 -0.95 8.31 0.00 -1.26 -0.63 107.32 113.47 1def s GLY 89 Ca 0.00 -0.36 -0.17 0.00 0.00 0.00 0.00 44.72 44.19 1def s GLY 89 CO 0.00 0.79 1.10 0.00 0.00 0.00 0.00 173.10 174.99 1def n LEU 91 N 5.84 0.00 0.00 0.00 0.00 -1.26 -4.26 117.00 117.32 1def n LEU 91 Ca 0.24 0.00 0.00 0.00 0.00 0.00 0.00 56.01 56.25 1def n LEU 91 Cb 0.48 0.00 0.00 0.00 0.00 0.00 0.00 43.42 43.90 1def n LEU 91 CO 0.49 0.00 0.00 -1.20 0.00 0.00 0.00 177.39 176.68 1def n SER 92 N 0.00 0.00 -0.08 1.96 7.64 -1.26 -4.50 113.62 117.37 1def n SER 92 Ca 0.00 0.00 -0.12 0.00 1.01 0.00 0.00 58.87 59.76 1def n SER 92 Cb 0.00 0.00 -0.07 0.00 -1.01 0.00 0.00 64.21 63.13 1def n SER 92 CO 0.00 0.00 0.00 -0.38 -3.01 0.00 0.00 175.04 171.65 1def n ILE 93 N -1.56 0.94 -1.00 0.44 -0.00 -1.26 -4.50 119.36 112.42 1def n ILE 93 Ca 0.00 -0.34 -0.01 0.00 -0.00 0.00 0.00 62.75 62.40 1def n ILE 93 Cb 0.00 -1.16 -0.00 0.00 -0.00 0.00 0.00 39.64 38.48 1def n ILE 93 CO 0.00 0.00 0.00 -0.81 -0.00 0.00 0.00 176.55 175.74 1def n PRO 94 N -3.08 0.00 -0.02 0.38 -0.04 -1.26 -4.76 135.00 126.21 1def n PRO 94 Ca -0.30 -0.03 -0.15 0.00 -0.04 0.00 0.00 63.50 62.99 1def n PRO 94 Cb 0.80 -1.05 -0.14 0.00 -0.04 0.00 0.00 33.50 33.07 1def n PRO 94 CO 0.00 0.00 0.00 0.39 -0.04 0.00 0.00 175.50 175.85 1def n GLU 95 N 3.91 0.69 -4.02 0.54 1.02 -1.26 -4.92 120.64 116.60 1def n GLU 95 Ca 0.01 0.25 -0.26 0.00 -0.02 0.00 0.00 57.16 57.14 1def n GLU 95 Cb 0.33 -1.72 -0.03 0.00 -0.02 0.00 0.00 31.44 30.00 1def n GLU 95 CO 0.00 0.00 0.00 -1.14 1.18 0.00 0.00 177.13 177.17 1def s GLN 96 N -2.57 2.27 0.50 3.49 2.00 -1.26 -5.15 119.66 118.94 1def s GLN 96 Ca -0.14 -1.97 0.03 0.00 -2.00 0.00 0.00 55.36 51.27 1def s GLN 96 Cb 0.07 -2.03 -0.01 0.00 0.80 0.00 0.00 33.01 31.84 1def s GLN 96 CO 0.79 -0.42 0.10 1.03 -0.50 0.00 0.00 175.29 176.29 1def s ARG 97 N -4.12 2.18 0.23 1.67 0.52 -1.26 -4.46 118.95 113.71 1def s ARG 97 Ca 0.34 -2.25 -0.16 0.00 -0.52 0.00 0.00 55.73 53.14 1def s ARG 97 Cb -0.00 -1.69 0.06 0.00 0.52 0.00 0.00 34.95 33.83 1def s ARG 97 CO 0.20 -0.36 0.79 0.00 0.02 0.00 0.00 175.30 175.95 1def n ALA 98 N -1.33 -1.95 -1.95 2.13 0.00 0.20 -4.91 120.51 112.70 1def n ALA 98 Ca -0.13 -0.95 -0.01 0.00 0.00 0.00 0.00 53.44 52.35 1def n ALA 98 Cb 0.66 0.64 0.12 0.00 0.00 0.00 0.00 19.45 20.87 1def n ALA 98 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.50 178.78 1def n LEU 99 N 0.00 2.76 -0.07 0.00 4.77 -1.25 -1.92 117.00 121.29 1def n LEU 99 Ca -0.04 -3.65 0.00 0.00 -0.03 0.00 0.00 56.01 52.28 1def n LEU 99 Cb 0.50 -0.32 0.00 0.00 -2.33 0.00 0.00 43.42 41.27 1def n LEU 99 CO 0.20 1.35 0.11 0.52 -1.33 0.00 0.00 177.39 178.24 1def n VAL 100 N -0.69 0.00 -2.65 4.08 0.31 -1.26 -4.44 118.33 113.68 1def n VAL 100 Ca 0.21 0.00 -0.22 0.00 -0.01 0.00 0.00 64.34 64.32 1def n VAL 100 Cb 0.84 -0.35 0.03 0.00 -0.91 0.00 0.00 33.84 33.46 1def n VAL 100 CO 0.00 0.00 0.00 -2.16 -1.32 0.00 0.00 176.83 173.35 1def s PRO 101 N -1.86 2.63 -0.37 5.55 0.04 -1.26 -4.40 135.00 135.32 1def s PRO 101 Ca 0.00 -0.63 0.12 0.00 0.04 0.00 0.00 61.00 60.53 1def s PRO 101 Cb 0.00 -2.46 0.40 0.00 0.04 0.00 0.00 34.50 32.48 1def s PRO 101 CO 0.00 -0.68 1.10 0.54 0.04 0.00 0.00 177.00 178.01 1def n ARG 102 N -2.36 1.13 -4.12 4.56 1.74 -0.23 -3.69 116.66 113.69 1def n ARG 102 Ca 0.06 -2.55 -0.15 0.00 -0.77 0.00 0.00 57.85 54.44 1def n ARG 102 Cb 0.59 -0.80 -0.12 0.00 -1.02 0.00 0.00 32.46 31.11 1def n ARG 102 CO 0.00 0.00 0.00 0.00 -1.52 0.00 0.00 177.63 176.11 1def s ALA 103 N -1.33 0.82 0.03 7.54 0.00 -0.74 -4.09 121.76 123.98 1def s ALA 103 Ca 0.26 -0.85 0.00 0.00 0.00 0.00 0.00 51.96 51.37 1def s ALA 103 Cb 0.40 -0.02 0.00 0.00 0.00 0.00 0.00 23.12 23.50 1def s ALA 103 CO -0.04 0.06 0.00 -1.91 0.00 0.00 0.00 175.76 173.88 1def n GLU 104 N 1.44 0.00 -3.84 0.00 2.13 0.65 -3.00 120.64 118.02 1def n GLU 104 Ca -0.22 0.00 -0.12 0.00 0.66 0.00 0.00 57.16 57.48 1def n GLU 104 Cb 0.54 -0.13 -0.12 0.00 0.27 0.00 0.00 31.44 32.01 1def n GLU 104 CO 0.00 0.00 0.00 0.21 -0.41 0.00 0.00 177.13 176.93 1def s LYS 105 N -1.26 0.23 -0.09 5.31 2.20 -1.00 -4.18 119.74 120.94 1def s LYS 105 Ca 0.00 0.07 -0.03 0.00 -0.36 0.00 0.00 55.97 55.64 1def s LYS 105 Cb 0.00 0.10 0.05 0.00 -1.51 0.00 0.00 37.83 36.47 1def s LYS 105 CO 0.00 -0.04 0.17 0.14 -0.36 0.00 0.00 175.35 175.26 1def s VAL 106 N -0.23 -0.27 0.09 4.02 -7.23 -0.16 -0.25 120.40 116.38 1def s VAL 106 Ca -0.03 0.32 0.04 0.00 -1.81 0.00 0.00 61.98 60.50 1def s VAL 106 Cb -0.02 -0.32 -0.04 0.00 0.56 0.00 0.00 36.38 36.55 1def s VAL 106 CO 0.00 0.12 0.05 -0.75 -0.31 0.00 0.00 175.10 174.21 1def s LYS 107 N 2.30 2.73 0.21 4.82 2.20 0.48 -0.97 119.74 131.50 1def s LYS 107 Ca 0.03 -0.78 0.02 0.00 -0.36 0.00 0.00 55.97 54.88 1def s LYS 107 Cb -0.12 -2.63 -0.01 0.00 -1.51 0.00 0.00 37.83 33.56 1def s LYS 107 CO -0.06 0.54 0.07 0.44 -0.36 0.00 0.00 175.35 175.98 1def n ILE 108 N 0.41 0.00 -3.65 5.43 -0.00 -0.90 -0.19 119.36 120.47 1def n ILE 108 Ca -0.09 -1.19 -0.28 0.00 -0.00 0.00 0.00 62.75 61.19 1def n ILE 108 Cb 0.52 0.42 -0.16 0.00 -0.00 0.00 0.00 39.64 40.42 1def n ILE 108 CO 0.00 0.00 0.00 -0.13 -0.00 0.00 0.00 176.55 176.42 1def s ARG 109 N -2.78 0.38 0.00 6.28 1.81 -0.68 -1.29 118.95 122.68 1def s ARG 109 Ca 0.10 -0.47 0.00 0.00 -1.72 0.00 0.00 55.73 53.64 1def s ARG 109 Cb 0.00 -1.76 0.00 0.00 -0.45 0.00 0.00 34.95 32.74 1def s ARG 109 CO 0.07 -0.81 0.00 0.00 -0.68 0.00 0.00 175.30 173.88 1def n ALA 110 N 5.13 0.00 -3.11 2.13 0.00 0.64 -1.91 120.51 123.39 1def n ALA 110 Ca -0.07 0.00 -0.12 0.00 0.00 0.00 0.00 53.44 53.25 1def n ALA 110 Cb 0.45 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.79 1def n ALA 110 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.50 176.99 1def s LEU 111 N 0.00 1.23 0.00 0.00 1.43 -1.26 0.26 118.68 120.34 1def s LEU 111 Ca 0.00 0.28 -0.08 0.00 -1.03 0.00 0.00 54.13 53.30 1def s LEU 111 Cb 0.00 0.76 0.13 0.00 0.03 0.00 0.00 46.19 47.12 1def s LEU 111 CO 0.00 -0.16 0.81 -0.90 0.23 0.00 0.00 176.35 176.33 1def n ASP 112 N 2.54 0.29 -0.25 2.29 5.68 -0.05 -4.54 116.55 122.51 1def n ASP 112 Ca -0.15 -1.43 0.04 0.00 -0.50 0.00 0.00 54.79 52.74 1def n ASP 112 Cb 0.58 -0.60 0.17 0.00 -1.14 0.00 0.00 41.12 40.12 1def n ASP 112 CO 0.00 0.00 0.00 -0.09 -1.33 0.00 0.00 177.20 175.78 1def h ARG 113 N 0.00 0.45 -0.98 0.11 1.12 -1.96 0.13 114.38 113.25 1def h ARG 113 Ca -0.26 -0.03 0.19 0.00 -1.11 0.00 0.00 59.98 58.77 1def h ARG 113 Cb 0.78 -0.10 -0.09 0.00 -0.01 0.00 0.00 29.97 30.55 1def h ARG 113 CO 0.21 0.30 0.61 -0.44 -3.11 0.00 0.00 179.97 177.54 1def h ASP 114 N 0.47 0.70 0.00 -3.80 5.19 -2.03 -3.44 116.42 113.50 1def h ASP 114 Ca 0.39 0.08 0.00 0.00 -0.62 0.00 0.00 57.03 56.87 1def h ASP 114 Cb 0.54 -0.05 0.00 0.00 0.18 0.00 0.00 39.33 40.00 1def h ASP 114 CO -0.37 0.26 0.00 0.61 -3.12 0.00 0.00 179.24 176.63 1def n GLY 115 N -1.38 0.93 3.12 2.75 0.00 0.46 -4.88 105.19 106.19 1def n GLY 115 Ca 0.22 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.93 1def n GLY 115 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1def s LYS 116 N 0.13 2.72 -0.48 1.61 1.02 -1.17 -4.84 119.74 118.73 1def s LYS 116 Ca 0.00 -0.74 -0.30 0.00 0.02 0.00 0.00 55.97 54.95 1def s LYS 116 Cb 0.00 -2.25 -0.11 0.00 -0.52 0.00 0.00 37.83 34.95 1def s LYS 116 CO 0.00 -0.05 2.36 -0.35 -0.92 0.00 0.00 175.35 176.38 1def n PRO 117 N 4.18 1.03 -1.91 -1.68 -0.04 -1.26 -0.87 135.00 134.45 1def n PRO 117 Ca -0.20 0.18 -0.13 0.00 -0.04 0.00 0.00 63.50 63.31 1def n PRO 117 Cb 0.51 -2.78 0.06 0.00 -0.04 0.00 0.00 33.50 31.25 1def n PRO 117 CO 0.00 0.00 0.00 1.97 -0.04 0.00 0.00 175.50 177.43 1def n PHE 118 N 12.41 -2.94 -3.36 0.54 -1.74 0.72 -4.81 117.46 118.28 1def n PHE 118 Ca 0.42 -1.12 -0.13 0.00 -0.56 0.00 0.00 57.45 56.06 1def n PHE 118 Cb 0.34 -0.40 -0.08 0.00 1.52 0.00 0.00 39.48 40.86 1def n PHE 118 CO 0.00 0.00 0.00 -2.00 -0.56 0.00 0.00 176.76 174.20 1def s GLU 119 N -3.86 0.35 -0.00 3.97 2.12 -1.26 -0.26 118.70 119.76 1def s GLU 119 Ca 0.38 0.03 -0.02 0.00 0.36 0.00 0.00 54.97 55.72 1def s GLU 119 Cb -0.02 -0.53 -0.00 0.00 0.26 0.00 0.00 34.13 33.83 1def s GLU 119 CO 0.25 -0.99 0.04 -0.51 -0.54 0.00 0.00 175.26 173.51 1def s LEU 120 N 2.44 1.90 0.16 2.70 1.43 -0.41 -4.92 118.68 121.99 1def s LEU 120 Ca 0.10 -0.11 -0.15 0.00 -1.03 0.00 0.00 54.13 52.94 1def s LEU 120 Cb -0.13 0.21 -0.07 0.00 0.03 0.00 0.00 46.19 46.22 1def s LEU 120 CO -0.30 -0.14 0.57 -1.83 0.23 0.00 0.00 176.35 174.88 1def s GLU 121 N -0.56 4.00 -0.16 1.70 4.04 -1.26 -2.11 118.70 124.35 1def s GLU 121 Ca -0.06 0.52 0.01 0.00 0.04 0.00 0.00 54.97 55.48 1def s GLU 121 Cb -0.04 -2.90 0.02 0.00 0.02 0.00 0.00 34.13 31.23 1def s GLU 121 CO -0.00 0.45 -0.18 0.00 -1.84 0.00 0.00 175.26 173.70 1def s ALA 122 N -1.50 2.07 0.36 -0.84 0.00 -0.15 -4.92 121.76 116.78 1def s ALA 122 Ca 0.39 -1.03 0.05 0.00 0.00 0.00 0.00 51.96 51.38 1def s ALA 122 Cb -0.15 -1.07 -0.03 0.00 0.00 0.00 0.00 23.12 21.87 1def s ALA 122 CO 0.19 -0.29 0.21 0.16 0.00 0.00 0.00 175.76 176.03 1def s ASP 123 N 1.27 2.10 0.00 0.00 1.47 -1.26 -0.99 116.67 119.26 1def s ASP 123 Ca 0.02 -1.71 0.00 0.00 1.18 0.00 0.00 52.55 52.04 1def s ASP 123 Cb -0.13 0.54 0.00 0.00 -0.34 0.00 0.00 42.92 42.98 1def s ASP 123 CO -0.09 -1.00 0.00 0.61 0.68 0.00 0.00 175.17 175.36 1def n GLY 124 N -0.73 0.95 0.26 2.12 0.00 -1.26 -3.79 105.19 102.74 1def n GLY 124 Ca 0.01 -1.99 0.10 0.00 0.00 0.00 0.00 46.02 44.14 1def n GLY 124 CO 0.00 0.00 0.00 -2.00 0.00 0.00 0.00 173.32 171.32 1def h LEU 125 N 0.00 0.00 0.00 0.99 6.46 -1.97 -2.46 115.31 118.33 1def h LEU 125 Ca 0.00 0.00 -0.13 0.00 -0.12 0.00 0.00 57.88 57.63 1def h LEU 125 Cb 0.00 0.00 -0.02 0.00 -0.73 0.00 0.00 40.66 39.91 1def h LEU 125 CO 0.00 0.05 -0.86 -0.07 -0.62 0.00 0.00 178.44 176.94 1def h LEU 126 N 0.00 0.00 -0.92 2.25 3.38 -1.93 -0.64 115.31 117.45 1def h LEU 126 Ca -0.00 -0.40 0.31 0.00 0.09 0.00 0.00 57.88 57.88 1def h LEU 126 Cb 0.09 0.00 -0.17 0.00 0.09 0.00 0.00 40.66 40.67 1def h LEU 126 CO 0.01 1.19 0.22 0.00 0.09 0.00 0.00 178.44 179.95 1def n ALA 127 N -3.35 0.67 -0.04 1.53 0.00 -1.20 0.24 120.51 118.35 1def n ALA 127 Ca -0.21 0.97 -0.15 0.00 0.00 0.00 0.00 53.44 54.05 1def n ALA 127 Cb 0.51 -0.82 -0.07 0.00 0.00 0.00 0.00 19.45 19.07 1def n ALA 127 CO 0.00 0.00 0.00 0.82 0.00 0.00 0.00 177.50 178.32 1def h ILE 128 N 0.00 1.35 0.46 0.00 2.04 -1.52 -2.28 117.51 117.56 1def h ILE 128 Ca 0.65 -1.69 -0.02 0.00 1.00 0.00 0.00 64.86 64.80 1def h ILE 128 Cb 1.54 2.04 0.00 0.00 -0.74 0.00 0.00 36.82 39.67 1def h ILE 128 CO -0.80 0.51 -0.22 0.00 0.00 0.00 0.00 178.15 177.64 1def h ILE 130 N -1.13 1.10 0.00 0.00 2.04 0.83 0.78 117.51 121.14 1def h ILE 130 Ca -0.06 -0.23 0.00 0.00 1.00 0.00 0.00 64.86 65.57 1def h ILE 130 Cb 0.52 0.37 0.00 0.00 -0.74 0.00 0.00 36.82 36.97 1def h ILE 130 CO 0.10 0.12 0.00 -0.61 0.00 0.00 0.00 178.15 177.77 1def h GLN 131 N 0.67 0.00 0.42 2.37 -0.00 -1.41 -2.30 115.11 114.86 1def h GLN 131 Ca 0.20 0.00 -0.02 0.00 -0.00 0.00 0.00 58.65 58.83 1def h GLN 131 Cb -0.01 0.00 0.00 0.00 0.00 0.00 0.00 27.48 27.48 1def h GLN 131 CO -0.05 0.00 -0.20 1.25 0.00 0.00 0.00 178.83 179.83 1def h HIS 132 N 0.00 -0.53 -0.87 3.99 2.76 0.23 0.60 115.15 121.33 1def h HIS 132 Ca 0.00 -0.01 0.24 0.00 -2.20 0.00 0.00 60.37 58.39 1def h HIS 132 Cb 0.57 0.17 -0.16 0.00 1.55 0.00 0.00 27.41 29.54 1def h HIS 132 CO 0.00 -0.20 0.00 0.39 -1.30 0.00 0.00 177.93 176.82 1def n GLU 133 N -5.21 -0.07 0.09 5.26 -0.58 0.63 0.32 120.64 121.07 1def n GLU 133 Ca -0.10 1.31 -0.14 0.00 -0.42 0.00 0.00 57.16 57.81 1def n GLU 133 Cb 0.29 -2.07 -0.09 0.00 -0.57 0.00 0.00 31.44 29.00 1def n GLU 133 CO 0.00 0.00 0.00 1.98 -0.48 0.00 0.00 177.13 178.63 1def h MET 134 N 0.00 0.30 -0.68 3.49 1.85 -0.76 -2.76 114.93 116.37 1def h MET 134 Ca 0.52 -0.41 0.00 0.00 -0.61 0.00 0.00 59.70 59.20 1def h MET 134 Cb 1.06 0.14 0.00 0.00 0.43 0.00 0.00 31.60 33.22 1def h MET 134 CO -0.83 1.14 0.00 -0.25 -0.40 0.00 0.00 176.91 176.57 1def n ASP 135 N -3.62 0.68 0.00 1.39 9.92 0.97 -1.54 116.55 124.36 1def n ASP 135 Ca -0.07 -2.00 0.00 0.00 -0.53 0.00 0.00 54.79 52.19 1def n ASP 135 Cb 0.93 -0.34 0.00 0.00 -0.64 0.00 0.00 41.12 41.07 1def n ASP 135 CO 0.00 0.00 0.00 1.41 0.13 0.00 0.00 177.20 178.74 1def n HIS 136 N -0.16 0.00 -0.35 1.24 8.25 0.33 -4.46 115.22 120.07 1def n HIS 136 Ca 0.00 0.00 0.13 0.00 -0.26 0.00 0.00 57.72 57.59 1def n HIS 136 Cb 0.17 0.00 0.32 0.00 1.12 0.00 0.00 29.99 31.60 1def n HIS 136 CO 0.00 0.00 0.00 -0.07 0.64 0.00 0.00 176.34 176.91 1def h LEU 137 N 0.00 0.77 -0.23 2.41 4.07 -1.06 0.13 115.31 121.39 1def h LEU 137 Ca 0.00 0.10 0.09 0.00 0.08 0.00 0.00 57.88 58.15 1def h LEU 137 Cb 0.00 -0.04 -0.04 0.00 1.08 0.00 0.00 40.66 41.66 1def h LEU 137 CO 0.00 0.27 0.09 1.33 -1.08 0.00 0.00 178.44 179.05 1def n VAL 138 N -4.78 -0.10 0.00 1.22 0.24 -0.59 -4.13 118.33 110.20 1def n VAL 138 Ca 0.23 0.49 0.00 0.00 -2.04 0.00 0.00 64.34 63.02 1def n VAL 138 Cb 0.57 -0.77 0.00 0.00 -1.47 0.00 0.00 33.84 32.17 1def n VAL 138 CO 0.00 0.00 0.00 0.61 -2.14 0.00 0.00 176.83 175.30 1def n GLY 139 N -1.08 0.49 0.00 7.63 0.00 -1.11 -4.71 105.19 106.41 1def n GLY 139 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1def n GLY 139 CO 0.00 0.00 0.00 0.58 0.00 0.00 0.00 173.32 173.90 1def n LYS 140 N 0.00 0.00 -0.02 1.61 -0.00 0.44 -4.93 118.16 115.25 1def n LYS 140 Ca 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 58.31 58.29 1def n LYS 140 Cb 0.00 0.00 -0.02 0.00 -0.00 0.00 0.00 35.03 35.01 1def n LYS 140 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.40 178.68 1def n LEU 141 N 0.00 1.87 -3.25 -5.58 4.77 -1.26 -5.02 117.00 108.53 1def n LEU 141 Ca 0.00 -0.01 -0.23 0.00 -0.03 0.00 0.00 56.01 55.73 1def n LEU 141 Cb 0.00 -0.06 -0.04 0.00 -2.33 0.00 0.00 43.42 40.99 1def n LEU 141 CO 0.00 0.38 -0.09 0.49 -1.33 0.00 0.00 177.39 176.85 1def n PHE 142 N -2.43 -0.97 0.00 -1.77 3.01 -1.26 -4.59 117.46 109.45 1def n PHE 142 Ca -0.06 0.37 0.00 0.00 1.01 0.00 0.00 57.45 58.77 1def n PHE 142 Cb 0.58 -1.18 0.00 0.00 -0.01 0.00 0.00 39.48 38.87 1def n PHE 142 CO 0.00 0.00 0.00 -1.33 1.01 0.00 0.00 176.76 176.44 1def n MET 143 N -2.74 0.00 -0.06 -1.08 2.81 -1.26 -4.98 117.12 109.81 1def n MET 143 Ca 0.06 0.00 -0.13 0.00 -1.81 0.00 0.00 57.70 55.82 1def n MET 143 Cb 0.33 0.00 -0.14 0.00 -0.71 0.00 0.00 33.22 32.70 1def n MET 143 CO 0.00 0.00 0.00 -0.25 1.51 0.00 0.00 175.97 177.23 1def n ASP 144 N 0.00 1.07 -3.15 7.83 8.00 -1.26 -4.97 116.55 124.06 1def n ASP 144 Ca 0.00 0.13 -0.21 0.00 0.71 0.00 0.00 54.79 55.42 1def n ASP 144 Cb 0.00 0.05 0.07 0.00 -0.02 0.00 0.00 41.12 41.22 1def n ASP 144 CO 0.00 0.00 0.00 -1.22 -0.39 0.00 0.00 177.20 175.59 1def n TYR 145 N -3.08 -2.47 0.00 1.24 4.02 -1.26 -4.53 117.16 111.08 1def n TYR 145 Ca -0.31 0.86 0.00 0.00 -0.01 0.00 0.00 57.90 58.44 1def n TYR 145 Cb 1.07 -4.47 0.00 0.00 -0.02 0.00 0.00 39.34 35.92 1def n TYR 145 CO 0.00 0.00 0.00 1.28 -1.01 0.00 0.00 176.86 177.13 1def n LEU 146 N -4.36 0.00 -0.38 7.72 4.77 -1.26 -4.77 117.00 118.71 1def n LEU 146 Ca 0.00 0.00 0.05 0.00 -0.03 0.00 0.00 56.01 56.03 1def n LEU 146 Cb 0.55 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.68 1def n LEU 146 CO 0.55 0.00 0.40 -0.24 -1.33 0.00 0.00 177.39 176.78