#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1def s VAL 2 N 0.00 1.04 1.00 2.46 0.11 -1.26 -4.87 120.40 118.88 1def s VAL 2 Ca 0.00 -2.00 -0.22 0.00 -2.93 0.00 0.00 61.98 56.83 1def s VAL 2 Cb 0.00 -2.41 -0.16 0.00 -1.53 0.00 0.00 36.38 32.28 1def s VAL 2 CO 0.00 0.00 -1.10 0.18 -3.33 0.00 0.00 175.10 170.85 1def n LEU 3 N -1.01 -4.25 -4.39 2.54 4.77 -1.26 -4.93 117.00 108.47 1def n LEU 3 Ca -0.10 0.09 -0.41 0.00 -0.03 0.00 0.00 56.01 55.55 1def n LEU 3 Cb 0.66 -0.66 -0.11 0.00 -2.33 0.00 0.00 43.42 40.99 1def n LEU 3 CO 0.39 -4.15 -0.13 -1.10 -1.33 0.00 0.00 177.39 171.07 1def s GLN 4 N -2.11 2.84 -0.03 3.23 -1.52 -1.26 -5.07 119.66 115.75 1def s GLN 4 Ca 0.39 -1.10 0.04 0.00 -1.95 0.00 0.00 55.36 52.74 1def s GLN 4 Cb -0.04 -3.81 -0.03 0.00 -0.22 0.00 0.00 33.01 28.91 1def s GLN 4 CO 0.74 -0.74 -0.15 0.08 -0.25 0.00 0.00 175.29 174.96 1def s VAL 5 N 1.58 2.97 -0.44 1.09 1.01 -1.26 -4.90 120.40 120.45 1def s VAL 5 Ca 0.03 -0.82 0.10 0.00 0.00 0.00 0.00 61.98 61.29 1def s VAL 5 Cb -0.20 -2.17 0.36 0.00 0.00 0.00 0.00 36.38 34.37 1def s VAL 5 CO 0.07 0.55 0.84 0.18 0.00 0.00 0.00 175.10 176.74 1def n LEU 6 N 2.18 2.34 -4.17 3.92 4.77 -1.26 -5.00 117.00 119.77 1def n LEU 6 Ca -0.17 -5.14 -0.39 0.00 -0.03 0.00 0.00 56.01 50.28 1def n LEU 6 Cb 0.52 0.20 -0.06 0.00 -2.33 0.00 0.00 43.42 41.75 1def n LEU 6 CO 0.26 2.25 0.30 -1.00 -1.33 0.00 0.00 177.39 177.87 1def s HIS 7 N -2.90 3.74 0.00 -1.77 3.76 -1.26 -4.12 115.29 112.73 1def s HIS 7 Ca 0.42 -2.69 0.00 0.00 -0.15 0.00 0.00 55.06 52.64 1def s HIS 7 Cb 0.34 -3.40 0.00 0.00 1.11 0.00 0.00 32.58 30.63 1def s HIS 7 CO -0.10 -0.84 0.00 0.44 -0.85 0.00 0.00 174.74 173.39 1def n ILE 8 N 3.07 0.00 -0.32 0.60 -0.00 -1.26 -3.56 119.36 117.88 1def n ILE 8 Ca 0.16 0.00 0.29 0.00 -0.00 0.00 0.00 62.75 63.20 1def n ILE 8 Cb 0.39 0.00 0.54 0.00 -0.00 0.00 0.00 39.64 40.57 1def n ILE 8 CO 0.00 0.00 0.00 -2.65 -0.00 0.00 0.00 176.55 173.90 1def n PRO 9 N 0.00 -0.06 -3.68 6.28 -0.02 -1.26 -4.13 135.00 132.14 1def n PRO 9 Ca 0.00 1.40 -0.39 0.00 -2.02 0.00 0.00 63.50 62.49 1def n PRO 9 Cb 0.00 -2.46 -0.11 0.00 -0.02 0.00 0.00 33.50 30.91 1def n PRO 9 CO 0.00 0.00 0.00 0.34 1.98 0.00 0.00 175.50 177.82 1def s ASP 10 N -4.60 5.48 0.00 2.55 -1.08 -1.26 -5.03 116.67 112.73 1def s ASP 10 Ca -0.10 -1.41 0.00 0.00 -0.52 0.00 0.00 52.55 50.52 1def s ASP 10 Cb 0.33 -1.93 0.00 0.00 -1.46 0.00 0.00 42.92 39.86 1def s ASP 10 CO 0.78 -0.46 0.00 -0.62 0.52 0.00 0.00 175.17 175.39 1def n GLU 11 N 4.85 2.56 0.00 4.34 4.71 -1.26 -4.62 120.64 131.22 1def n GLU 11 Ca -0.10 0.00 0.08 0.00 -0.01 0.00 0.00 57.16 57.13 1def n GLU 11 Cb 0.43 0.00 0.35 0.00 -1.01 0.00 0.00 31.44 31.22 1def n GLU 11 CO 0.00 0.00 0.00 -2.13 0.09 0.00 0.00 177.13 175.09 1def n ARG 12 N 0.00 0.01 0.00 3.49 0.00 -0.85 -4.81 116.66 114.51 1def n ARG 12 Ca 0.00 0.21 0.00 0.00 -0.00 0.00 0.00 57.85 58.06 1def n ARG 12 Cb 0.00 -1.50 0.00 0.00 0.00 0.00 0.00 32.46 30.96 1def n ARG 12 CO 0.00 0.00 0.00 1.28 0.00 0.00 0.00 177.63 178.91 1def n LEU 13 N -1.49 0.00 -2.63 6.15 7.99 -1.26 -4.03 117.00 121.73 1def n LEU 13 Ca 0.04 0.00 -0.09 0.00 -0.01 0.00 0.00 56.01 55.95 1def n LEU 13 Cb 0.19 0.00 0.03 0.00 -0.11 0.00 0.00 43.42 43.53 1def n LEU 13 CO 0.15 0.00 -0.00 0.54 -1.51 0.00 0.00 177.39 176.57 1def n ARG 14 N 0.00 1.94 0.08 3.23 1.74 -1.26 -4.88 116.66 117.51 1def n ARG 14 Ca 0.00 -3.61 -0.06 0.00 -0.77 0.00 0.00 57.85 53.41 1def n ARG 14 Cb 0.00 -1.63 0.08 0.00 -1.02 0.00 0.00 32.46 29.89 1def n ARG 14 CO 0.00 0.00 0.00 0.87 -1.52 0.00 0.00 177.63 176.98 1def h LYS 15 N 2.69 0.25 0.00 5.56 6.56 -1.87 -3.48 116.57 126.28 1def h LYS 15 Ca -0.01 -0.19 0.00 0.00 -1.06 0.00 0.00 60.65 59.39 1def h LYS 15 Cb 1.23 0.04 0.00 0.00 -0.57 0.00 0.00 32.23 32.93 1def h LYS 15 CO 0.44 0.83 0.00 0.28 -2.06 0.00 0.00 179.45 178.94 1def n VAL 16 N -3.82 0.00 0.00 0.50 0.31 -1.26 -4.40 118.33 109.65 1def n VAL 16 Ca -0.03 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.30 1def n VAL 16 Cb 0.67 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.60 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 0.00 -0.07 -3.59 3.52 0.00 -1.26 -4.87 120.51 114.24 1def n ALA 17 Ca 0.00 0.00 -0.36 0.00 0.00 0.00 0.00 53.44 53.08 1def n ALA 17 Cb 0.00 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.39 1def n ALA 17 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.50 178.67 1def n LYS 18 N 0.00 2.75 -1.42 0.00 4.81 -0.72 -5.03 118.16 118.54 1def n LYS 18 Ca 0.00 -4.49 -0.37 0.00 -0.87 0.00 0.00 58.31 52.59 1def n LYS 18 Cb 0.00 -2.42 0.07 0.00 0.02 0.00 0.00 35.03 32.70 1def n LYS 18 CO 0.00 0.00 0.00 -0.35 1.17 0.00 0.00 177.40 178.22 1def n PRO 19 N 2.23 0.55 -4.33 1.64 -0.04 -1.26 -4.45 135.00 129.35 1def n PRO 19 Ca 0.22 0.23 -0.17 0.00 -0.04 0.00 0.00 63.50 63.75 1def n PRO 19 Cb 0.37 -2.03 -0.10 0.00 -0.04 0.00 0.00 33.50 31.70 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 -1.74 0.57 0.00 0.52 1.01 -1.26 -4.95 120.40 114.55 1def s VAL 20 Ca 0.72 -2.00 0.00 0.00 0.00 0.00 0.00 61.98 60.70 1def s VAL 20 Cb -0.38 -2.64 0.00 0.00 0.00 0.00 0.00 36.38 33.37 1def s VAL 20 CO 0.52 0.00 0.00 -0.62 0.00 0.00 0.00 175.10 175.00 1def n GLU 21 N -0.49 0.39 0.00 2.72 -0.58 -1.26 -4.82 120.64 116.60 1def n GLU 21 Ca -0.00 0.00 0.00 0.00 -0.42 0.00 0.00 57.16 56.74 1def n GLU 21 Cb 0.66 -0.98 0.00 0.00 -0.57 0.00 0.00 31.44 30.55 1def n GLU 21 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1def n GLU 22 N -2.41 3.86 -4.25 3.49 1.02 -1.26 -4.97 120.64 116.13 1def n GLU 22 Ca 0.00 0.00 -0.14 0.00 -0.02 0.00 0.00 57.16 57.00 1def n GLU 22 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 31.44 31.80 1def n GLU 22 CO 0.00 0.00 0.00 0.08 1.18 0.00 0.00 177.13 178.39 1def s VAL 23 N 1.29 0.66 0.00 2.62 1.01 -1.26 -4.95 120.40 119.77 1def s VAL 23 Ca 0.00 -1.98 0.00 0.00 0.00 0.00 0.00 61.98 60.00 1def s VAL 23 Cb 0.00 -2.17 0.00 0.00 0.00 0.00 0.00 36.38 34.21 1def s VAL 23 CO 0.00 -0.42 0.00 -0.46 0.00 0.00 0.00 175.10 174.22 1def n ASN 24 N -0.26 0.00 -0.07 3.32 2.04 -1.26 -5.07 115.26 113.95 1def n ASN 24 Ca -0.06 0.00 -0.14 0.00 -0.44 0.00 0.00 54.58 53.94 1def n ASN 24 Cb 0.63 0.00 -0.05 0.00 -2.53 0.00 0.00 39.78 37.83 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -0.44 0.00 0.00 177.26 176.82 1def n ALA 25 N -3.00 2.00 -0.35 -2.53 0.00 -1.26 -4.57 120.51 110.81 1def n ALA 25 Ca 0.00 -0.57 0.22 0.00 0.00 0.00 0.00 53.44 53.09 1def n ALA 25 Cb 0.00 0.29 0.46 0.00 0.00 0.00 0.00 19.45 20.20 1def n ALA 25 CO 0.00 0.00 0.00 1.49 0.00 0.00 0.00 177.50 178.99 1def h GLU 26 N -0.40 0.41 -0.86 0.00 4.22 -1.99 -1.25 114.58 114.70 1def h GLU 26 Ca -0.35 -0.02 0.17 0.00 0.08 0.00 0.00 59.36 59.24 1def h GLU 26 Cb 1.35 -0.09 -0.16 0.00 0.50 0.00 0.00 28.75 30.34 1def h GLU 26 CO -0.18 0.27 -0.22 -0.89 -2.18 0.00 0.00 179.01 175.81 1def n ILE 27 N -4.86 -0.36 0.20 2.32 -0.00 -1.26 0.98 119.36 116.38 1def n ILE 27 Ca 0.29 1.97 -0.15 0.00 -0.00 0.00 0.00 62.75 64.85 1def n ILE 27 Cb 0.90 -2.72 -0.08 0.00 -0.00 0.00 0.00 39.64 37.75 1def n ILE 27 CO 0.00 0.00 0.00 -0.61 -0.00 0.00 0.00 176.55 175.94 1def h GLN 28 N 0.00 -0.71 -0.06 0.38 -0.00 -1.52 0.26 115.11 113.45 1def h GLN 28 Ca 0.41 0.05 0.02 0.00 -0.00 0.00 0.00 58.65 59.13 1def h GLN 28 Cb 0.62 0.16 -0.00 0.00 0.00 0.00 0.00 27.48 28.26 1def h GLN 28 CO -0.88 -0.48 0.13 -0.09 0.00 0.00 0.00 178.83 177.51 1def h ARG 29 N -0.74 0.00 0.06 1.69 2.43 0.51 0.68 114.38 119.02 1def h ARG 29 Ca -0.01 0.00 -0.24 0.00 -0.81 0.00 0.00 59.98 58.91 1def h ARG 29 Cb 0.69 0.00 0.00 0.00 -0.42 0.00 0.00 29.97 30.24 1def h ARG 29 CO -0.11 0.00 -1.08 0.82 -1.51 0.00 0.00 179.97 178.09 1def h ILE 30 N 0.00 1.47 0.05 1.20 2.04 0.25 -0.34 117.51 122.18 1def h ILE 30 Ca 0.03 -2.80 -0.00 0.00 1.00 0.00 0.00 64.86 63.08 1def h ILE 30 Cb 0.29 2.70 0.00 0.00 -0.74 0.00 0.00 36.82 39.07 1def h ILE 30 CO -0.00 0.82 -0.02 0.58 0.00 0.00 0.00 178.15 179.53 1def h VAL 31 N 0.13 0.00 -0.73 1.67 2.07 0.26 -0.46 116.25 119.20 1def h VAL 31 Ca -0.10 -0.05 0.11 0.00 0.82 0.00 0.00 66.70 67.48 1def h VAL 31 Cb 1.76 0.00 -0.05 0.00 -1.52 0.00 0.00 31.29 31.49 1def h VAL 31 CO 0.18 0.00 0.48 -0.78 0.02 0.00 0.00 177.57 177.47 1def h ASP 32 N -0.11 0.49 0.93 0.57 3.58 -0.42 -0.61 116.42 120.86 1def h ASP 32 Ca -0.01 0.02 0.00 0.00 0.42 0.00 0.00 57.03 57.46 1def h ASP 32 Cb 0.05 -0.08 0.00 0.00 1.72 0.00 0.00 39.33 41.01 1def h ASP 32 CO 0.01 0.28 -0.39 -0.67 -2.88 0.00 0.00 179.24 175.59 1def n ASP 33 N -4.49 0.59 0.20 2.28 -0.08 -0.14 -1.86 116.55 113.05 1def n ASP 33 Ca 0.13 0.19 0.13 0.00 -1.51 0.00 0.00 54.79 53.72 1def n ASP 33 Cb 0.40 -0.10 0.26 0.00 2.34 0.00 0.00 41.12 44.03 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 0.10 -0.67 4.05 0.50 0.20 114.93 119.11 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 0.66 0.00 0.00 0.00 -0.80 0.00 0.00 31.60 31.46 1def h MET 34 CO 0.00 0.00 -0.05 0.74 0.23 0.00 0.00 176.91 177.83 1def h PHE 35 N 0.00 -0.12 -1.19 1.39 0.04 -0.94 0.91 116.94 117.03 1def h PHE 35 Ca 0.00 -0.00 0.34 0.00 2.80 0.00 0.00 57.97 61.11 1def h PHE 35 Cb 0.90 0.04 -0.05 0.00 2.20 0.00 0.00 35.95 39.04 1def h PHE 35 CO 0.00 0.34 1.00 0.93 -0.60 0.00 0.00 178.31 179.99 1def h GLU 36 N -0.93 0.00 0.00 1.51 3.07 -1.09 0.72 114.58 117.87 1def h GLU 36 Ca -0.01 0.00 0.00 0.00 -0.50 0.00 0.00 59.36 58.85 1def h GLU 36 Cb 0.52 0.00 0.00 0.00 -0.84 0.00 0.00 28.75 28.43 1def h GLU 36 CO 0.02 0.00 0.00 2.41 -1.40 0.00 0.00 179.01 180.04 1def n THR 37 N -3.80 0.00 -0.30 1.13 -1.04 0.70 -3.26 114.28 107.70 1def n THR 37 Ca 0.26 0.44 -0.08 0.00 -2.04 0.00 0.00 64.05 62.63 1def n THR 37 Cb 1.38 -1.35 -0.07 0.00 -1.82 0.00 0.00 70.33 68.47 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 -2.00 -0.31 -0.26 -2.82 0.00 0.31 0.17 117.12 112.21 1def n MET 38 Ca 0.00 1.07 -0.01 0.00 0.00 0.00 0.00 57.70 58.76 1def n MET 38 Cb 0.00 -1.58 0.11 0.00 0.00 0.00 0.00 33.22 31.75 1def n MET 38 CO 0.00 0.00 0.00 1.88 0.00 0.00 0.00 175.97 177.85 1def h TYR 39 N 0.00 0.82 -0.48 1.12 0.05 -1.02 -0.88 116.97 116.58 1def h TYR 39 Ca 0.12 0.03 -0.19 0.00 0.05 0.00 0.00 58.73 58.74 1def h TYR 39 Cb 0.30 -0.26 -0.11 0.00 1.01 0.00 0.00 36.73 37.67 1def h TYR 39 CO -0.73 0.41 0.23 0.00 -1.05 0.00 0.00 178.16 177.03 1def n ALA 40 N -2.34 3.91 -0.49 3.88 0.00 0.44 -4.40 120.51 121.50 1def n ALA 40 Ca 0.10 -1.45 0.00 0.00 0.00 0.00 0.00 53.44 52.09 1def n ALA 40 Cb 0.16 -1.19 0.00 0.00 0.00 0.00 0.00 19.45 18.42 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 -0.14 0.00 -4.00 0.00 -0.58 0.98 -4.85 120.64 112.05 1def n GLU 41 Ca 0.27 0.00 -0.33 0.00 -0.42 0.00 0.00 57.16 56.68 1def n GLU 41 Cb 1.03 -0.15 -0.07 0.00 -0.57 0.00 0.00 31.44 31.69 1def n GLU 41 CO 0.00 0.00 0.00 0.39 -0.48 0.00 0.00 177.13 177.04 1def n GLU 42 N -1.90 -0.80 0.00 3.49 -0.58 -1.20 -1.98 120.64 117.67 1def n GLU 42 Ca 0.00 0.11 0.00 0.00 -0.42 0.00 0.00 57.16 56.85 1def n GLU 42 Cb 0.00 -3.68 0.00 0.00 -0.57 0.00 0.00 31.44 27.19 1def n GLU 42 CO 0.00 0.00 0.00 0.41 -0.48 0.00 0.00 177.13 177.06 1def n GLY 43 N -1.22 3.99 0.15 0.62 0.00 -1.26 -5.00 105.19 102.47 1def n GLY 43 Ca 0.03 -0.92 -0.14 0.00 0.00 0.00 0.00 46.02 44.99 1def n GLY 43 CO 0.00 0.00 0.00 0.16 0.00 0.00 0.00 173.32 173.48 1def h ILE 44 N 0.00 0.81 0.00 -0.61 3.07 -1.73 -3.49 117.51 115.56 1def h ILE 44 Ca 0.00 -0.07 0.00 0.00 1.55 0.00 0.00 64.86 66.34 1def h ILE 44 Cb 0.00 0.85 0.00 0.00 -0.27 0.00 0.00 36.82 37.40 1def h ILE 44 CO 0.00 0.02 0.00 0.61 -1.05 0.00 0.00 178.15 177.73 1def n GLY 45 N -1.12 1.43 3.21 0.16 0.00 -1.26 -5.13 105.19 102.48 1def n GLY 45 Ca -0.09 -0.78 -0.20 0.00 0.00 0.00 0.00 46.02 44.96 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 2.30 0.00 0.99 0.20 -1.26 -5.02 118.68 115.89 1def s LEU 46 Ca 0.00 -0.66 0.00 0.00 0.69 0.00 0.00 54.13 54.16 1def s LEU 46 Cb 0.00 -0.61 0.00 0.00 -0.43 0.00 0.00 46.19 45.15 1def s LEU 46 CO 0.00 -0.05 0.00 0.00 -0.29 0.00 0.00 176.35 176.01 1def n ALA 47 N 1.14 0.00 -2.10 5.97 0.00 -1.26 -4.56 120.51 119.70 1def n ALA 47 Ca -0.20 0.00 -0.35 0.00 0.00 0.00 0.00 53.44 52.89 1def n ALA 47 Cb 0.54 0.00 0.03 0.00 0.00 0.00 0.00 19.45 20.02 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 -3.00 5.98 -0.04 0.00 0.00 -1.24 -4.85 120.51 117.37 1def n ALA 48 Ca 0.00 -4.16 0.00 0.00 0.00 0.00 0.00 53.44 49.28 1def n ALA 48 Cb 0.00 -1.45 0.00 0.00 0.00 0.00 0.00 19.45 18.00 1def n ALA 48 CO 0.00 0.00 0.00 0.25 0.00 0.00 0.00 177.50 177.75 1def n THR 49 N -0.54 0.00 -1.79 0.00 -2.24 -1.26 -4.77 114.28 103.69 1def n THR 49 Ca 0.49 0.00 0.05 0.00 -2.27 0.00 0.00 64.05 62.32 1def n THR 49 Cb 0.41 0.00 0.10 0.00 -2.10 0.00 0.00 70.33 68.74 1def n THR 49 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1def n GLN 50 N -0.21 0.77 -0.07 -0.78 3.00 -1.26 -4.63 117.38 114.20 1def n GLN 50 Ca 0.00 -2.31 -0.07 0.00 -0.01 0.00 0.00 57.00 54.61 1def n GLN 50 Cb 0.03 -0.94 -0.03 0.00 0.00 0.00 0.00 30.24 29.30 1def n GLN 50 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.06 177.34 1def h VAL 51 N 3.56 0.20 0.00 5.09 2.07 -1.91 -2.25 116.25 123.02 1def h VAL 51 Ca -0.06 -1.23 0.00 0.00 0.82 0.00 0.00 66.70 66.23 1def h VAL 51 Cb 1.31 0.46 0.00 0.00 -1.52 0.00 0.00 31.29 31.54 1def h VAL 51 CO 0.03 0.07 0.00 -0.67 0.02 0.00 0.00 177.57 177.01 1def n ASP 52 N -4.61 0.00 -4.33 0.57 2.03 -1.26 -3.31 116.55 105.63 1def n ASP 52 Ca -0.10 0.00 -0.32 0.00 0.52 0.00 0.00 54.79 54.89 1def n ASP 52 Cb 0.29 0.00 -0.15 0.00 -0.72 0.00 0.00 41.12 40.54 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 -0.98 2.33 -0.40 5.18 1.01 -1.26 -4.98 121.20 122.10 1def s ILE 53 Ca 0.00 -0.98 0.10 0.00 0.00 0.00 0.00 60.65 59.77 1def s ILE 53 Cb 0.00 -1.86 0.37 0.00 0.01 0.00 0.00 42.46 40.98 1def s ILE 53 CO 0.00 0.57 1.07 1.41 0.00 0.00 0.00 174.94 178.00 1def n HIS 54 N 2.69 -1.46 -2.52 3.97 8.25 -1.26 -4.71 115.22 120.17 1def n HIS 54 Ca -0.17 -2.55 -0.24 0.00 -0.26 0.00 0.00 57.72 54.51 1def n HIS 54 Cb 0.52 0.86 0.13 0.00 1.12 0.00 0.00 29.99 32.62 1def n HIS 54 CO 0.00 0.00 0.00 1.04 0.64 0.00 0.00 176.34 178.02 1def n GLN 55 N 0.02 -0.27 -0.33 -0.41 6.02 -1.26 -1.76 117.38 119.39 1def n GLN 55 Ca 0.08 -2.64 -0.13 0.00 -0.01 0.00 0.00 57.00 54.30 1def n GLN 55 Cb 0.75 -0.75 0.13 0.00 1.02 0.00 0.00 30.24 31.39 1def n GLN 55 CO 0.00 0.00 0.00 2.89 -1.01 0.00 0.00 177.06 178.94 1def n ARG 56 N -2.97 -1.64 -1.69 -1.09 1.85 -1.26 -4.32 116.66 105.54 1def n ARG 56 Ca 0.17 -0.64 0.00 0.00 -1.00 0.00 0.00 57.85 56.37 1def n ARG 56 Cb 0.59 -1.14 0.00 0.00 -1.05 0.00 0.00 32.46 30.86 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 -4.15 -0.26 -3.74 8.89 5.41 -1.25 -4.72 119.36 119.54 1def n ILE 57 Ca 0.06 0.00 0.00 0.00 1.00 0.00 0.00 62.75 63.81 1def n ILE 57 Cb 0.26 -1.31 0.00 0.00 -0.71 0.00 0.00 39.64 37.88 1def n ILE 57 CO 0.00 0.00 0.00 -0.38 0.00 0.00 0.00 176.55 176.17 1def n ILE 58 N 1.94 0.00 -3.94 1.39 5.41 0.27 -2.85 119.36 121.58 1def n ILE 58 Ca 0.00 0.00 -0.09 0.00 1.00 0.00 0.00 62.75 63.66 1def n ILE 58 Cb 0.00 0.00 -0.09 0.00 -0.71 0.00 0.00 39.64 38.84 1def n ILE 58 CO 0.00 0.00 0.00 0.68 0.00 0.00 0.00 176.55 177.23 1def s VAL 59 N -1.52 0.15 0.05 1.39 -7.23 -1.26 0.11 120.40 112.10 1def s VAL 59 Ca 0.00 -1.26 -0.08 0.00 -1.81 0.00 0.00 61.98 58.83 1def s VAL 59 Cb 0.00 -1.14 -0.00 0.00 0.56 0.00 0.00 36.38 35.80 1def s VAL 59 CO 0.00 -0.70 0.15 0.27 -0.31 0.00 0.00 175.10 174.52 1def s ILE 60 N -3.20 0.13 0.23 -0.62 -4.36 -0.54 -4.50 121.20 108.33 1def s ILE 60 Ca 0.00 -1.07 0.01 0.00 -0.26 0.00 0.00 60.65 59.33 1def s ILE 60 Cb 0.02 -1.05 -0.05 0.00 1.25 0.00 0.00 42.46 42.63 1def s ILE 60 CO -0.07 -0.59 0.06 -1.81 0.24 0.00 0.00 174.94 172.77 1def s ASP 61 N -2.34 1.15 0.00 4.36 1.01 -1.26 0.45 116.67 120.04 1def s ASP 61 Ca -0.02 -1.31 0.00 0.00 0.71 0.00 0.00 52.55 51.93 1def s ASP 61 Cb 0.01 0.16 0.00 0.00 1.01 0.00 0.00 42.92 44.10 1def s ASP 61 CO -0.06 -0.68 0.88 0.55 0.21 0.00 0.00 175.17 176.07 1def n VAL 62 N -0.38 0.00 -1.56 -1.27 3.14 0.17 -4.47 118.33 113.96 1def n VAL 62 Ca -0.02 0.00 -0.29 0.00 -2.96 0.00 0.00 64.34 61.07 1def n VAL 62 Cb 0.65 0.57 -0.05 0.00 -1.06 0.00 0.00 33.84 33.95 1def n VAL 62 CO 0.00 0.00 0.00 -1.54 -6.46 0.00 0.00 176.83 168.83 1def n SER 63 N 0.00 6.66 -0.00 6.55 3.41 -0.91 -3.50 113.62 125.83 1def n SER 63 Ca 0.00 -3.23 0.04 0.00 -0.26 0.00 0.00 58.87 55.42 1def n SER 63 Cb 0.65 -1.24 -0.06 0.00 -0.26 0.00 0.00 64.21 63.30 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 0.89 1.42 0.00 4.33 2.13 -1.26 -4.80 120.64 123.35 1def n GLU 64 Ca 0.50 -0.05 0.00 0.00 0.66 0.00 0.00 57.16 58.27 1def n GLU 64 Cb 0.51 -1.11 0.00 0.00 0.27 0.00 0.00 31.44 31.11 1def n GLU 64 CO 0.00 0.00 0.00 0.09 -0.41 0.00 0.00 177.13 176.81 1def n ASN 65 N -1.62 0.00 -2.74 4.31 3.02 -1.23 -5.01 115.26 111.99 1def n ASN 65 Ca -0.01 0.00 -0.09 0.00 -0.03 0.00 0.00 54.58 54.46 1def n ASN 65 Cb 0.19 -0.00 0.09 0.00 -0.61 0.00 0.00 39.78 39.45 1def n ASN 65 CO 0.00 0.00 0.00 -1.14 -2.62 0.00 0.00 177.26 173.50 1def n ARG 66 N -1.10 1.12 0.00 3.52 0.63 -1.26 -5.12 116.66 114.44 1def n ARG 66 Ca 0.00 -2.07 0.00 0.00 -0.92 0.00 0.00 57.85 54.86 1def n ARG 66 Cb 0.00 -0.58 0.00 0.00 0.45 0.00 0.00 32.46 32.33 1def n ARG 66 CO 0.00 0.00 0.00 -0.25 -2.51 0.00 0.00 177.63 174.87 1def n ASP 67 N -0.17 0.00 -3.28 6.15 9.92 -1.23 -5.02 116.55 122.93 1def n ASP 67 Ca 0.03 0.00 -0.16 0.00 -0.53 0.00 0.00 54.79 54.13 1def n ASP 67 Cb 0.78 0.00 -0.03 0.00 -0.64 0.00 0.00 41.12 41.23 1def n ASP 67 CO 0.00 0.00 0.00 -0.62 0.13 0.00 0.00 177.20 176.71 1def n GLU 68 N 0.00 1.40 -3.44 -1.24 1.02 -1.26 -4.13 120.64 113.00 1def n GLU 68 Ca 0.00 -1.78 -0.34 0.00 -0.02 0.00 0.00 57.16 55.02 1def n GLU 68 Cb 0.00 0.48 -0.06 0.00 -0.02 0.00 0.00 31.44 31.85 1def n GLU 68 CO 0.00 0.00 0.00 -0.98 1.18 0.00 0.00 177.13 177.33 1def s ARG 69 N -2.88 3.86 0.22 3.49 3.03 -1.26 -0.66 118.95 124.75 1def s ARG 69 Ca 0.00 0.33 0.01 0.00 2.03 0.00 0.00 55.73 58.10 1def s ARG 69 Cb 0.00 -2.85 -0.00 0.00 -1.03 0.00 0.00 34.95 31.07 1def s ARG 69 CO 0.00 0.44 0.03 -0.11 -1.13 0.00 0.00 175.30 174.54 1def n LEU 70 N 0.49 0.00 -4.72 -1.89 7.94 0.17 -4.85 117.00 114.14 1def n LEU 70 Ca -0.04 -1.52 -0.24 0.00 -1.11 0.00 0.00 56.01 53.11 1def n LEU 70 Cb 0.52 0.31 -0.07 0.00 0.53 0.00 0.00 43.42 44.71 1def n LEU 70 CO 0.44 -0.22 -0.19 -0.69 -1.11 0.00 0.00 177.39 175.61 1def s VAL 71 N -2.05 2.62 0.19 1.96 1.01 -1.25 -1.47 120.40 121.42 1def s VAL 71 Ca 0.04 -1.73 -0.00 0.00 0.00 0.00 0.00 61.98 60.29 1def s VAL 71 Cb 0.00 -2.96 -0.04 0.00 0.00 0.00 0.00 36.38 33.38 1def s VAL 71 CO 0.03 -0.10 0.10 -0.22 0.00 0.00 0.00 175.10 174.91 1def s LEU 72 N -3.86 1.47 0.00 3.92 0.20 0.12 -4.08 118.68 116.44 1def s LEU 72 Ca 0.39 -1.33 0.00 0.00 0.69 0.00 0.00 54.13 53.88 1def s LEU 72 Cb 0.01 0.25 0.00 0.00 -0.43 0.00 0.00 46.19 46.02 1def s LEU 72 CO 0.22 -0.77 0.00 2.30 -0.29 0.00 0.00 176.35 177.81 1def n ILE 73 N -0.27 0.00 -1.78 6.68 -0.00 -1.26 0.95 119.36 123.68 1def n ILE 73 Ca -0.01 0.00 0.05 0.00 -0.00 0.00 0.00 62.75 62.79 1def n ILE 73 Cb 0.65 0.00 0.09 0.00 -0.00 0.00 0.00 39.64 40.39 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 -1.80 1.28 -3.16 7.28 2.04 -1.26 -4.75 115.26 114.89 1def n ASN 74 Ca 0.00 -2.76 0.00 0.00 -0.44 0.00 0.00 54.58 51.38 1def n ASN 74 Cb 0.00 -0.37 0.00 0.00 -2.53 0.00 0.00 39.78 36.88 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 -0.53 1.51 -3.72 -0.53 -0.04 -1.26 -4.22 135.00 126.21 1def n PRO 75 Ca 0.10 0.00 -0.38 0.00 -0.04 0.00 0.00 63.50 63.18 1def n PRO 75 Cb 0.79 0.00 -0.12 0.00 -0.04 0.00 0.00 33.50 34.13 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 0.00 2.60 0.59 0.54 2.02 -0.88 -4.80 118.70 118.77 1def s GLU 76 Ca 0.00 -1.25 -0.02 0.00 0.02 0.00 0.00 54.97 53.72 1def s GLU 76 Cb 0.00 -3.53 0.03 0.00 0.10 0.00 0.00 34.13 30.73 1def s GLU 76 CO 0.00 -0.73 0.85 -0.51 0.02 0.00 0.00 175.26 174.89 1def s LEU 77 N 1.40 3.17 0.12 1.80 1.02 -1.26 -1.30 118.68 123.63 1def s LEU 77 Ca -0.00 0.26 0.00 0.00 0.02 0.00 0.00 54.13 54.41 1def s LEU 77 Cb -0.20 -3.06 0.00 0.00 0.02 0.00 0.00 46.19 42.95 1def s LEU 77 CO 0.03 -1.22 0.00 -0.11 0.02 0.00 0.00 176.35 175.06 1def n LEU 78 N -2.52 0.32 -4.57 1.79 -0.00 0.25 -4.83 117.00 107.43 1def n LEU 78 Ca 0.07 0.19 -0.24 0.00 -0.00 0.00 0.00 56.01 56.03 1def n LEU 78 Cb 0.59 0.01 -0.08 0.00 -0.00 0.00 0.00 43.42 43.94 1def n LEU 78 CO 0.49 -0.57 -0.38 -0.70 -0.00 0.00 0.00 177.39 176.23 1def s GLU 79 N -2.00 2.02 -0.38 1.96 -6.30 0.55 -4.94 118.70 109.62 1def s GLU 79 Ca 0.00 -1.60 0.04 0.00 -2.50 0.00 0.00 54.97 50.91 1def s GLU 79 Cb 0.00 -1.98 0.16 0.00 0.00 0.00 0.00 34.13 32.31 1def s GLU 79 CO 0.00 0.32 0.43 -1.59 0.02 0.00 0.00 175.26 174.43 1def s LYS 80 N -3.62 0.67 0.22 4.30 -2.85 -1.26 -0.70 119.74 116.50 1def s LYS 80 Ca 0.31 -0.71 0.09 0.00 -1.00 0.00 0.00 55.97 54.66 1def s LYS 80 Cb -0.05 -0.55 -0.04 0.00 -2.06 0.00 0.00 37.83 35.12 1def s LYS 80 CO 0.18 -1.19 -0.04 -1.54 0.10 0.00 0.00 175.35 172.86 1def s SER 81 N 1.55 4.44 -0.12 0.03 1.04 0.28 -4.86 113.70 116.06 1def s SER 81 Ca 0.16 -0.60 -0.01 0.00 0.48 0.00 0.00 55.95 55.99 1def s SER 81 Cb -0.13 -0.80 0.00 0.00 0.10 0.00 0.00 66.02 65.19 1def s SER 81 CO -0.05 0.05 0.01 0.61 0.98 0.00 0.00 173.24 174.84 1def n GLY 82 N -0.43 -3.48 3.29 7.32 0.00 -1.26 -0.58 105.19 110.04 1def n GLY 82 Ca -0.08 0.09 -0.31 0.00 0.00 0.00 0.00 46.02 45.72 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 -0.68 2.28 0.04 1.61 0.41 -1.26 0.13 118.70 121.23 1def s GLU 83 Ca -0.01 -0.92 -0.03 0.00 -0.41 0.00 0.00 54.97 53.59 1def s GLU 83 Cb 0.00 -2.08 -0.01 0.00 -1.78 0.00 0.00 34.13 30.25 1def s GLU 83 CO 0.32 0.49 -0.07 -2.37 -0.49 0.00 0.00 175.26 173.14 1def n THR 84 N 2.64 1.21 -1.12 3.63 5.66 -1.26 -4.73 114.28 120.30 1def n THR 84 Ca -0.17 0.34 0.00 0.00 -3.05 0.00 0.00 64.05 61.17 1def n THR 84 Cb 0.51 -1.70 0.00 0.00 -1.55 0.00 0.00 70.33 67.59 1def n THR 84 CO 0.00 0.00 0.00 0.61 -3.05 0.00 0.00 175.07 172.63 1def n GLY 85 N 3.08 -2.16 3.80 1.09 0.00 0.01 -4.85 105.19 106.16 1def n GLY 85 Ca -0.03 -0.42 -0.39 0.00 0.00 0.00 0.00 46.02 45.19 1def n GLY 85 CO 0.00 0.00 0.00 -0.26 0.00 0.00 0.00 173.32 173.06 1def s ILE 86 N 0.00 4.73 -0.82 -0.61 -0.00 -0.80 -4.83 121.20 118.87 1def s ILE 86 Ca 0.00 1.25 -0.19 0.00 -0.00 0.00 0.00 60.65 61.71 1def s ILE 86 Cb 0.00 -3.92 0.13 0.00 -0.00 0.00 0.00 42.46 38.67 1def s ILE 86 CO 0.00 0.54 0.99 -0.70 -0.00 0.00 0.00 174.94 175.77 1def s GLU 87 N -1.02 3.44 0.00 0.37 2.56 -1.24 -1.76 118.70 121.05 1def s GLU 87 Ca 0.30 -1.64 0.00 0.00 0.00 0.00 0.00 54.97 53.63 1def s GLU 87 Cb -0.20 -4.65 0.00 0.00 2.00 0.00 0.00 34.13 31.28 1def s GLU 87 CO 0.19 -1.69 0.00 -1.91 -0.56 0.00 0.00 175.26 171.30 1def n GLU 88 N 6.38 0.00 -2.79 4.30 2.13 -0.90 -4.95 120.64 124.82 1def n GLU 88 Ca 0.13 0.00 -0.02 0.00 0.66 0.00 0.00 57.16 57.93 1def n GLU 88 Cb 0.47 0.00 0.06 0.00 0.27 0.00 0.00 31.44 32.24 1def n GLU 88 CO 0.00 0.00 0.00 0.41 -0.41 0.00 0.00 177.13 177.13 1def n GLY 89 N 0.00 1.75 1.34 8.31 0.00 -1.26 -1.42 105.19 113.91 1def n GLY 89 Ca 0.00 -0.97 -0.07 0.00 0.00 0.00 0.00 46.02 44.97 1def n GLY 89 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1def n LEU 91 N 2.10 0.00 -3.02 0.00 4.77 -1.26 -4.72 117.00 114.86 1def n LEU 91 Ca 0.22 0.00 0.00 0.00 -0.03 0.00 0.00 56.01 56.20 1def n LEU 91 Cb 0.08 0.00 0.00 0.00 -2.33 0.00 0.00 43.42 41.17 1def n LEU 91 CO 0.39 0.00 0.00 -1.20 -1.33 0.00 0.00 177.39 175.25 1def n SER 92 N -2.71 0.00 0.00 -1.43 7.64 -1.26 -3.45 113.62 112.41 1def n SER 92 Ca 0.00 0.00 0.00 0.00 1.01 0.00 0.00 58.87 59.88 1def n SER 92 Cb 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 64.21 63.20 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 -0.76 0.00 -0.11 0.44 2.08 -1.23 -4.75 119.36 115.02 1def n ILE 93 Ca 0.00 0.00 -0.07 0.00 0.56 0.00 0.00 62.75 63.24 1def n ILE 93 Cb 0.00 0.00 0.03 0.00 -0.75 0.00 0.00 39.64 38.92 1def n ILE 93 CO 0.00 0.00 0.00 -0.81 0.56 0.00 0.00 176.55 176.30 1def n PRO 94 N 0.00 1.33 -0.04 0.38 -0.04 -1.22 -4.04 135.00 131.35 1def n PRO 94 Ca 0.00 -0.70 -0.21 0.00 -0.04 0.00 0.00 63.50 62.56 1def n PRO 94 Cb 0.00 -1.27 -0.13 0.00 -0.04 0.00 0.00 33.50 32.05 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 0.57 0.71 -3.35 0.54 -0.58 -1.26 -4.87 120.64 112.40 1def n GLU 95 Ca 0.14 0.24 -0.21 0.00 -0.42 0.00 0.00 57.16 56.90 1def n GLU 95 Cb 0.64 -1.65 0.02 0.00 -0.57 0.00 0.00 31.44 29.88 1def n GLU 95 CO 0.00 0.00 0.00 -1.14 -0.48 0.00 0.00 177.13 175.51 1def s GLN 96 N -2.54 2.44 0.15 3.49 0.74 -1.26 -5.08 119.66 117.60 1def s GLN 96 Ca -0.27 -1.64 0.10 0.00 0.05 0.00 0.00 55.36 53.60 1def s GLN 96 Cb 0.08 -2.48 -0.04 0.00 1.10 0.00 0.00 33.01 31.67 1def s GLN 96 CO 0.70 -0.55 -0.18 -0.98 -0.55 0.00 0.00 175.29 173.74 1def s ARG 97 N -4.40 1.76 0.42 1.67 1.70 -1.26 -4.25 118.95 114.60 1def s ARG 97 Ca 0.51 -1.30 0.07 0.00 -0.47 0.00 0.00 55.73 54.54 1def s ARG 97 Cb -0.05 -2.05 -0.05 0.00 -0.57 0.00 0.00 34.95 32.23 1def s ARG 97 CO 0.31 0.45 0.17 0.00 -1.08 0.00 0.00 175.30 175.15 1def s ALA 98 N -1.41 3.60 -0.04 7.88 0.00 -0.51 -4.80 121.76 126.49 1def s ALA 98 Ca 0.20 -2.04 0.01 0.00 0.00 0.00 0.00 51.96 50.14 1def s ALA 98 Cb -0.09 -0.33 0.05 0.00 0.00 0.00 0.00 23.12 22.74 1def s ALA 98 CO 0.11 -0.17 0.48 -0.11 0.00 0.00 0.00 175.76 176.07 1def n LEU 99 N -1.24 -0.31 -0.03 0.00 -0.00 -0.73 -2.13 117.00 112.57 1def n LEU 99 Ca -0.02 -0.98 -0.00 0.00 -0.00 0.00 0.00 56.01 55.01 1def n LEU 99 Cb 0.65 0.33 -0.00 0.00 -0.00 0.00 0.00 43.42 44.40 1def n LEU 99 CO 0.46 0.95 -0.02 0.58 -0.00 0.00 0.00 177.39 179.35 1def h VAL 100 N 1.20 0.00 -3.10 1.96 2.07 -1.84 -3.43 116.25 113.11 1def h VAL 100 Ca -0.14 -0.49 -0.62 0.00 0.82 0.00 0.00 66.70 66.27 1def h VAL 100 Cb 0.88 0.00 -0.10 0.00 -1.52 0.00 0.00 31.29 30.56 1def h VAL 100 CO -0.06 0.00 -0.62 -2.16 0.02 0.00 0.00 177.57 174.75 1def s PRO 101 N -1.31 2.75 0.30 1.57 0.04 -1.26 -4.73 135.00 132.35 1def s PRO 101 Ca -0.01 -0.81 0.05 0.00 0.04 0.00 0.00 61.00 60.27 1def s PRO 101 Cb 0.00 -2.62 -0.06 0.00 0.04 0.00 0.00 34.50 31.86 1def s PRO 101 CO 0.01 0.53 -0.00 -0.98 0.04 0.00 0.00 177.00 176.60 1def s ARG 102 N -2.58 1.59 0.00 4.56 1.70 -1.26 -0.81 118.95 122.15 1def s ARG 102 Ca 0.28 -1.84 0.00 0.00 -0.47 0.00 0.00 55.73 53.70 1def s ARG 102 Cb -0.11 -1.00 0.00 0.00 -0.57 0.00 0.00 34.95 33.26 1def s ARG 102 CO 0.21 -0.07 0.00 0.00 -1.08 0.00 0.00 175.30 174.36 1def n ALA 103 N -0.63 0.00 0.00 7.88 0.00 -1.25 -4.72 120.51 121.79 1def n ALA 103 Ca -0.04 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.40 1def n ALA 103 Cb 0.65 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.10 1def n ALA 103 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1def n GLU 104 N -1.75 0.00 -3.89 0.00 2.13 0.35 -4.38 120.64 113.10 1def n GLU 104 Ca 0.00 0.00 -0.30 0.00 0.66 0.00 0.00 57.16 57.52 1def n GLU 104 Cb 0.00 -0.02 -0.14 0.00 0.27 0.00 0.00 31.44 31.55 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 -1.93 1.88 -0.16 5.31 2.20 0.25 -3.98 119.74 123.31 1def s LYS 105 Ca 0.00 -2.58 -0.03 0.00 -0.36 0.00 0.00 55.97 53.00 1def s LYS 105 Cb 0.00 -3.12 -0.02 0.00 -1.51 0.00 0.00 37.83 33.18 1def s LYS 105 CO 0.00 -1.14 -0.05 0.14 -0.36 0.00 0.00 175.35 173.94 1def s VAL 106 N -0.29 3.72 -0.01 4.02 -7.23 0.18 -0.56 120.40 120.22 1def s VAL 106 Ca 0.18 -0.41 0.02 0.00 -1.81 0.00 0.00 61.98 59.96 1def s VAL 106 Cb -0.23 -2.63 -0.03 0.00 0.56 0.00 0.00 36.38 34.05 1def s VAL 106 CO -0.02 0.48 -0.05 -0.75 -0.31 0.00 0.00 175.10 174.46 1def s LYS 107 N 0.53 2.65 0.52 4.82 2.36 0.12 -0.77 119.74 129.96 1def s LYS 107 Ca -0.04 -0.66 0.06 0.00 -2.55 0.00 0.00 55.97 52.78 1def s LYS 107 Cb -0.15 -2.56 0.02 0.00 -1.05 0.00 0.00 37.83 34.10 1def s LYS 107 CO 0.03 0.62 0.37 0.96 1.55 0.00 0.00 175.35 178.88 1def s ILE 108 N -0.98 1.80 -0.30 5.43 -4.36 0.58 -0.33 121.20 123.04 1def s ILE 108 Ca 0.17 -1.51 -0.02 0.00 -0.26 0.00 0.00 60.65 59.03 1def s ILE 108 Cb -0.11 -2.31 0.12 0.00 1.25 0.00 0.00 42.46 41.41 1def s ILE 108 CO 0.07 0.00 0.21 -0.13 0.24 0.00 0.00 174.94 175.33 1def s ARG 109 N -4.22 0.27 0.00 0.37 1.81 -0.42 -1.47 118.95 115.30 1def s ARG 109 Ca 0.35 -0.42 0.00 0.00 -1.72 0.00 0.00 55.73 53.94 1def s ARG 109 Cb -0.02 -0.95 0.00 0.00 -0.45 0.00 0.00 34.95 33.53 1def s ARG 109 CO 0.21 -1.04 0.00 0.00 -0.68 0.00 0.00 175.30 173.80 1def n ALA 110 N 5.18 0.00 -3.34 2.13 0.00 0.16 -2.08 120.51 122.56 1def n ALA 110 Ca -0.03 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.28 1def n ALA 110 Cb 0.44 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.79 1def n ALA 110 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 1def s LEU 111 N 0.00 0.32 0.00 0.00 0.20 -1.26 0.19 118.68 118.12 1def s LEU 111 Ca 0.00 0.86 0.03 0.00 0.69 0.00 0.00 54.13 55.72 1def s LEU 111 Cb 0.00 1.52 0.10 0.00 -0.43 0.00 0.00 46.19 47.39 1def s LEU 111 CO 0.00 -0.17 0.77 -0.90 -0.29 0.00 0.00 176.35 175.77 1def n ASP 112 N 2.76 1.43 0.28 3.68 5.68 -0.26 -4.07 116.55 126.05 1def n ASP 112 Ca -0.14 -2.11 0.16 0.00 -0.50 0.00 0.00 54.79 52.20 1def n ASP 112 Cb 0.57 -0.47 0.73 0.00 -1.14 0.00 0.00 41.12 40.81 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 0.00 -0.92 0.11 1.12 -1.97 -0.85 114.38 111.87 1def h ARG 113 Ca -0.26 0.00 0.05 0.00 -1.11 0.00 0.00 59.98 58.66 1def h ARG 113 Cb 1.05 0.00 -0.06 0.00 -0.01 0.00 0.00 29.97 30.95 1def h ARG 113 CO 0.31 0.05 0.60 -0.44 -3.11 0.00 0.00 179.97 177.39 1def h ASP 114 N 0.00 0.97 0.00 -3.80 5.19 -2.05 -3.45 116.42 113.28 1def h ASP 114 Ca -0.00 -0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1def h ASP 114 Cb 0.45 -0.21 0.00 0.00 0.18 0.00 0.00 39.33 39.75 1def h ASP 114 CO 0.01 0.64 0.00 0.61 -3.12 0.00 0.00 179.24 177.38 1def n GLY 115 N -1.39 1.00 2.96 2.75 0.00 -0.33 -5.13 105.19 105.05 1def n GLY 115 Ca 0.13 0.00 -0.11 0.00 0.00 0.00 0.00 46.02 46.05 1def n GLY 115 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1def s LYS 116 N 0.01 0.22 -0.00 1.61 -2.85 -1.23 -4.91 119.74 112.59 1def s LYS 116 Ca 0.00 -0.32 -0.30 0.00 -1.00 0.00 0.00 55.97 54.35 1def s LYS 116 Cb 0.00 0.08 -0.06 0.00 -2.06 0.00 0.00 37.83 35.79 1def s LYS 116 CO 0.00 -0.04 1.61 -1.25 0.10 0.00 0.00 175.35 175.77 1def s PRO 117 N -0.85 4.21 -0.10 1.78 0.04 -1.26 -1.10 135.00 137.72 1def s PRO 117 Ca -0.09 2.19 0.03 0.00 0.04 0.00 0.00 61.00 63.17 1def s PRO 117 Cb -0.06 -3.78 0.01 0.00 0.04 0.00 0.00 34.50 30.71 1def s PRO 117 CO -0.00 -0.76 -0.18 -0.59 0.04 0.00 0.00 177.00 175.51 1def s PHE 118 N 3.27 2.11 -0.64 0.56 -0.71 0.50 -4.80 117.98 118.27 1def s PHE 118 Ca 0.72 -0.90 -0.18 0.00 -1.04 0.00 0.00 56.93 55.53 1def s PHE 118 Cb -0.35 -1.46 0.12 0.00 -1.21 0.00 0.00 43.02 40.12 1def s PHE 118 CO 0.30 -0.41 0.73 -2.00 -1.34 0.00 0.00 175.22 172.50 1def s GLU 119 N 0.63 3.14 0.24 1.99 2.12 -1.26 0.37 118.70 125.93 1def s GLU 119 Ca -0.14 -1.51 -0.12 0.00 0.36 0.00 0.00 54.97 53.56 1def s GLU 119 Cb -0.16 -4.34 -0.00 0.00 0.26 0.00 0.00 34.13 29.88 1def s GLU 119 CO 0.04 -1.52 0.45 -0.51 -0.54 0.00 0.00 175.26 173.18 1def s LEU 120 N 2.33 0.39 -0.03 2.70 1.43 -0.54 -4.93 118.68 120.04 1def s LEU 120 Ca 0.13 -0.92 -0.00 0.00 -1.03 0.00 0.00 54.13 52.31 1def s LEU 120 Cb -0.22 1.68 -0.04 0.00 0.03 0.00 0.00 46.19 47.65 1def s LEU 120 CO 0.03 -1.11 0.03 -1.83 0.23 0.00 0.00 176.35 173.70 1def s GLU 121 N -4.01 2.93 -0.23 1.70 1.03 -1.26 -0.31 118.70 118.54 1def s GLU 121 Ca 0.22 -0.51 -0.04 0.00 0.03 0.00 0.00 54.97 54.67 1def s GLU 121 Cb -0.00 -2.77 -0.00 0.00 -0.80 0.00 0.00 34.13 30.56 1def s GLU 121 CO 0.08 0.66 -0.02 0.00 -1.33 0.00 0.00 175.26 174.64 1def s ALA 122 N -1.06 2.86 0.23 -0.84 0.00 0.05 -4.94 121.76 118.06 1def s ALA 122 Ca 0.19 -1.23 0.04 0.00 0.00 0.00 0.00 51.96 50.96 1def s ALA 122 Cb -0.12 -1.78 -0.01 0.00 0.00 0.00 0.00 23.12 21.21 1def s ALA 122 CO 0.09 -0.53 0.22 -0.40 0.00 0.00 0.00 175.76 175.14 1def n ASP 123 N 4.80 -0.58 0.00 0.00 5.75 -1.26 -0.65 116.55 124.61 1def n ASP 123 Ca -0.17 -2.43 0.00 0.00 -0.01 0.00 0.00 54.79 52.17 1def n ASP 123 Cb 0.50 1.26 0.00 0.00 -1.03 0.00 0.00 41.12 41.85 1def n ASP 123 CO 0.00 0.00 0.00 0.61 -0.11 0.00 0.00 177.20 177.70 1def n GLY 124 N -0.42 1.49 0.46 6.12 0.00 -1.26 -3.92 105.19 107.67 1def n GLY 124 Ca 0.04 -1.85 0.27 0.00 0.00 0.00 0.00 46.02 44.49 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 0.18 0.00 0.99 5.85 -1.94 -1.45 115.31 118.94 1def h LEU 125 Ca 0.00 0.03 -0.00 0.00 0.84 0.00 0.00 57.88 58.74 1def h LEU 125 Cb 0.00 -0.00 -0.00 0.00 0.37 0.00 0.00 40.66 41.03 1def h LEU 125 CO 0.00 0.05 -0.04 -0.07 -0.34 0.00 0.00 178.44 178.04 1def h LEU 126 N 0.16 0.00 -0.47 2.25 3.38 -1.82 -1.31 115.31 117.50 1def h LEU 126 Ca 0.51 -0.24 0.04 0.00 0.09 0.00 0.00 57.88 58.28 1def h LEU 126 Cb 1.72 0.00 -0.06 0.00 0.09 0.00 0.00 40.66 42.41 1def h LEU 126 CO -0.11 0.64 -0.28 0.00 0.09 0.00 0.00 178.44 178.79 1def n ALA 127 N -2.79 -0.30 -0.34 1.53 0.00 -1.02 0.15 120.51 117.74 1def n ALA 127 Ca -0.03 0.40 0.17 0.00 0.00 0.00 0.00 53.44 53.97 1def n ALA 127 Cb 0.13 0.15 0.32 0.00 0.00 0.00 0.00 19.45 20.06 1def n ALA 127 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.50 176.61 1def n ILE 128 N -4.06 -0.42 -0.00 0.00 5.41 -0.58 0.11 119.36 119.83 1def n ILE 128 Ca 0.01 2.17 -0.17 0.00 1.00 0.00 0.00 62.75 65.76 1def n ILE 128 Cb 0.12 -3.20 -0.11 0.00 -0.71 0.00 0.00 39.64 35.74 1def n ILE 128 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 176.55 176.55 1def n ILE 130 N -4.29 0.00 -0.06 0.00 3.06 0.11 -2.27 119.36 115.90 1def n ILE 130 Ca -0.10 -0.15 -0.12 0.00 -2.50 0.00 0.00 62.75 59.87 1def n ILE 130 Cb 0.63 0.45 -0.14 0.00 0.54 0.00 0.00 39.64 41.12 1def n ILE 130 CO 0.00 0.00 0.00 1.67 -2.50 0.00 0.00 176.55 175.72 1def n GLN 131 N -0.50 0.67 -0.10 9.51 7.27 0.12 -2.17 117.38 132.18 1def n GLN 131 Ca 0.13 0.16 -0.06 0.00 0.07 0.00 0.00 57.00 57.30 1def n GLN 131 Cb 0.36 -1.64 0.00 0.00 2.41 0.00 0.00 30.24 31.37 1def n GLN 131 CO 0.00 0.00 0.00 1.25 0.07 0.00 0.00 177.06 178.38 1def h HIS 132 N 0.01 -0.52 -0.12 3.69 2.76 0.12 2.04 115.15 123.13 1def h HIS 132 Ca -0.45 0.04 0.02 0.00 -2.20 0.00 0.00 60.37 57.78 1def h HIS 132 Cb 2.09 0.28 -0.02 0.00 1.55 0.00 0.00 27.41 31.31 1def h HIS 132 CO 0.02 -0.28 0.02 0.93 -1.30 0.00 0.00 177.93 177.32 1def h GLU 133 N -0.15 0.07 -0.17 5.26 4.39 -1.54 0.83 114.58 123.27 1def h GLU 133 Ca 0.18 -0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.88 1def h GLU 133 Cb 0.43 -0.02 0.00 0.00 -0.10 0.00 0.00 28.75 29.06 1def h GLU 133 CO -0.45 0.05 0.00 0.00 -1.16 0.00 0.00 179.01 177.44 1def n MET 134 N -5.09 1.65 0.14 2.33 0.00 0.23 -2.20 117.12 114.18 1def n MET 134 Ca -0.04 -0.99 -0.22 0.00 0.00 0.00 0.00 57.70 56.45 1def n MET 134 Cb 0.06 -1.36 -0.15 0.00 0.00 0.00 0.00 33.22 31.77 1def n MET 134 CO 0.00 0.00 0.00 -0.44 0.00 0.00 0.00 175.97 175.53 1def h ASP 135 N 1.94 0.72 -0.69 3.17 3.32 0.44 0.05 116.42 125.37 1def h ASP 135 Ca 0.00 -0.77 0.10 0.00 0.02 0.00 0.00 57.03 56.38 1def h ASP 135 Cb 0.43 -0.24 -0.12 0.00 0.22 0.00 0.00 39.33 39.62 1def h ASP 135 CO 0.00 1.60 -0.43 0.45 -1.72 0.00 0.00 179.24 179.15 1def h HIS 136 N 0.13 -1.26 0.11 4.55 3.86 -0.40 -0.21 115.15 121.93 1def h HIS 136 Ca -0.22 0.09 -0.28 0.00 -1.16 0.00 0.00 60.37 58.80 1def h HIS 136 Cb 2.11 0.65 -0.00 0.00 1.06 0.00 0.00 27.41 31.23 1def h HIS 136 CO 0.11 -0.41 -1.30 1.37 0.86 0.00 0.00 177.93 178.55 1def h LEU 137 N -0.16 0.37 -0.27 2.43 8.10 -1.36 -2.29 115.31 122.13 1def h LEU 137 Ca 0.21 -0.42 0.00 0.00 0.11 0.00 0.00 57.88 57.78 1def h LEU 137 Cb 0.55 -0.12 0.00 0.00 -0.44 0.00 0.00 40.66 40.66 1def h LEU 137 CO -0.76 1.34 0.00 -0.37 -4.11 0.00 0.00 178.44 174.53 1def h VAL 138 N 0.06 0.00 -0.19 0.15 -1.51 -0.38 -1.89 116.25 112.49 1def h VAL 138 Ca -0.15 -0.64 0.00 0.00 -1.23 0.00 0.00 66.70 64.68 1def h VAL 138 Cb 1.97 1.61 0.00 0.00 -2.13 0.00 0.00 31.29 32.73 1def h VAL 138 CO 0.18 0.00 0.00 0.61 -1.23 0.00 0.00 177.57 177.13 1def n GLY 139 N 0.92 2.93 6.96 5.19 0.00 -0.14 -5.02 105.19 116.03 1def n GLY 139 Ca 0.04 -0.25 0.00 0.00 0.00 0.00 0.00 46.02 45.81 1def n GLY 139 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1def n LYS 140 N 0.03 -0.01 -4.60 1.61 5.02 -0.71 -4.70 118.16 114.79 1def n LYS 140 Ca 0.07 0.01 -0.28 0.00 -2.02 0.00 0.00 58.31 56.09 1def n LYS 140 Cb 0.37 -0.01 -0.17 0.00 -0.02 0.00 0.00 35.03 35.20 1def n LYS 140 CO 0.00 0.00 0.00 -0.48 -0.52 0.00 0.00 177.40 176.40 1def s LEU 141 N 0.00 1.73 0.00 -0.35 2.34 -1.22 -4.47 118.68 116.72 1def s LEU 141 Ca 0.00 -0.40 0.00 0.00 0.06 0.00 0.00 54.13 53.79 1def s LEU 141 Cb 0.00 -1.03 0.00 0.00 -0.56 0.00 0.00 46.19 44.60 1def s LEU 141 CO 0.00 0.04 0.00 2.22 -1.06 0.00 0.00 176.35 177.55 1def n PHE 142 N 3.98 0.00 0.00 3.48 -1.74 -1.26 -4.92 117.46 117.00 1def n PHE 142 Ca -0.20 0.00 0.00 0.00 -0.56 0.00 0.00 57.45 56.69 1def n PHE 142 Cb 0.52 0.00 0.00 0.00 1.52 0.00 0.00 39.48 41.52 1def n PHE 142 CO 0.00 0.00 0.00 -1.33 -0.56 0.00 0.00 176.76 174.87 1def n MET 143 N 0.07 0.00 -1.00 3.97 2.81 -1.26 -4.83 117.12 116.88 1def n MET 143 Ca 0.00 0.00 -0.22 0.00 -1.81 0.00 0.00 57.70 55.67 1def n MET 143 Cb 0.00 0.00 0.08 0.00 -0.71 0.00 0.00 33.22 32.59 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 5.69 -3.33 7.83 8.00 -1.26 -4.52 116.55 128.96 1def n ASP 144 Ca 0.00 -3.28 -0.37 0.00 0.71 0.00 0.00 54.79 51.85 1def n ASP 144 Cb 0.00 -0.92 0.01 0.00 -0.02 0.00 0.00 41.12 40.19 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 -0.37 3.13 -3.87 1.24 4.01 -1.26 -4.92 117.16 115.12 1def n TYR 145 Ca 0.43 -2.89 0.00 0.00 -0.16 0.00 0.00 57.90 55.29 1def n TYR 145 Cb 0.88 -0.98 0.00 0.00 -0.31 0.00 0.00 39.34 38.93 1def n TYR 145 CO 0.00 0.00 0.00 1.28 -0.46 0.00 0.00 176.86 177.68 1def n LEU 146 N -0.19 0.00 -0.15 7.72 4.77 -1.26 -4.93 117.00 122.96 1def n LEU 146 Ca 0.44 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.44 1def n LEU 146 Cb 0.31 0.00 0.02 0.00 -2.33 0.00 0.00 43.42 41.41 1def n LEU 146 CO 0.47 0.00 0.31 -1.20 -1.33 0.00 0.00 177.39 175.64