#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 2.83 -0.36 0.44 1.01 -1.26 -2.49 120.40 120.56 1def s VAL 2 Ca 0.00 -0.75 0.12 0.00 0.00 0.00 0.00 61.98 61.35 1def s VAL 2 Cb 0.00 -2.16 0.45 0.00 0.00 0.00 0.00 36.38 34.67 1def s VAL 2 CO 0.00 0.54 1.05 0.18 0.00 0.00 0.00 175.10 176.87 1def n LEU 3 N 3.38 3.16 -4.61 3.92 4.77 -1.26 -5.05 117.00 121.31 1def n LEU 3 Ca -0.18 -4.39 -0.28 0.00 -0.03 0.00 0.00 56.01 51.13 1def n LEU 3 Cb 0.53 -0.01 -0.11 0.00 -2.33 0.00 0.00 43.42 41.49 1def n LEU 3 CO 0.29 1.86 -0.29 0.00 -1.33 0.00 0.00 177.39 177.92 1def s GLN 4 N -3.40 1.94 0.75 3.23 -2.07 -1.26 -4.96 119.66 113.89 1def s GLN 4 Ca 0.38 -2.10 -0.09 0.00 -1.82 0.00 0.00 55.36 51.73 1def s GLN 4 Cb 0.42 -1.57 0.07 0.00 -1.09 0.00 0.00 33.01 30.84 1def s GLN 4 CO -0.07 -0.07 1.09 0.08 -1.32 0.00 0.00 175.29 175.01 1def s VAL 5 N -2.76 2.15 0.46 3.63 1.01 -1.26 -5.04 120.40 118.58 1def s VAL 5 Ca 0.35 -0.15 0.07 0.00 0.00 0.00 0.00 61.98 62.25 1def s VAL 5 Cb 0.10 -3.00 -0.00 0.00 0.00 0.00 0.00 36.38 33.47 1def s VAL 5 CO 0.18 0.00 0.37 -0.22 0.00 0.00 0.00 175.10 175.42 1def s LEU 6 N -5.40 3.13 -0.65 3.92 2.96 -1.26 -4.73 118.68 116.65 1def s LEU 6 Ca 0.61 -0.96 -0.10 0.00 -0.22 0.00 0.00 54.13 53.46 1def s LEU 6 Cb -0.11 -1.68 0.17 0.00 0.50 0.00 0.00 46.19 45.07 1def s LEU 6 CO 0.47 -0.79 0.54 -1.00 -1.32 0.00 0.00 176.35 174.25 1def s HIS 7 N -2.59 3.53 0.08 5.38 3.76 -1.26 -4.26 115.29 119.93 1def s HIS 7 Ca 0.43 -2.06 0.01 0.00 -0.15 0.00 0.00 55.06 53.29 1def s HIS 7 Cb -0.02 -3.58 0.01 0.00 1.11 0.00 0.00 32.58 30.10 1def s HIS 7 CO 0.25 -0.96 0.04 0.44 -0.85 0.00 0.00 174.74 173.67 1def n ILE 8 N 4.24 0.00 -0.38 0.60 -0.00 -1.02 -4.22 119.36 118.59 1def n ILE 8 Ca 0.03 -0.35 0.35 0.00 -0.00 0.00 0.00 62.75 62.78 1def n ILE 8 Cb 0.42 -0.28 0.62 0.00 -0.00 0.00 0.00 39.64 40.40 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 -0.55 -0.05 -2.44 6.28 -0.02 -1.24 -4.36 135.00 132.62 1def n PRO 9 Ca -0.01 1.30 -0.11 0.00 -2.02 0.00 0.00 63.50 62.65 1def n PRO 9 Cb 0.10 -2.42 0.00 0.00 -0.02 0.00 0.00 33.50 31.16 1def n PRO 9 CO 0.00 0.00 0.00 -0.40 1.98 0.00 0.00 175.50 177.08 1def n ASP 10 N -4.97 1.65 -4.38 2.55 5.75 -1.26 -4.93 116.55 110.96 1def n ASP 10 Ca 0.38 -1.81 -0.19 0.00 -0.01 0.00 0.00 54.79 53.15 1def n ASP 10 Cb 1.38 -0.04 -0.10 0.00 -1.03 0.00 0.00 41.12 41.33 1def n ASP 10 CO 0.00 0.00 0.00 -1.83 -0.11 0.00 0.00 177.20 175.26 1def s GLU 11 N -3.02 1.43 0.08 0.11 -1.05 -1.26 -4.81 118.70 110.18 1def s GLU 11 Ca 0.16 -1.70 -0.17 0.00 -0.15 0.00 0.00 54.97 53.11 1def s GLU 11 Cb -0.01 -1.00 -0.04 0.00 -0.44 0.00 0.00 34.13 32.63 1def s GLU 11 CO 0.10 0.04 1.29 -0.09 0.95 0.00 0.00 175.26 177.55 1def h ARG 12 N 2.40 -0.06 0.00 -4.83 1.12 -1.32 -3.42 114.38 108.27 1def h ARG 12 Ca -0.39 0.00 0.00 0.00 -1.11 0.00 0.00 59.98 58.48 1def h ARG 12 Cb 1.23 0.01 0.00 0.00 -0.01 0.00 0.00 29.97 31.20 1def h ARG 12 CO 0.65 -0.04 0.00 1.47 -3.11 0.00 0.00 179.97 178.95 1def n LEU 13 N -4.16 0.00 0.00 3.80 -0.00 -1.26 -4.94 117.00 110.44 1def n LEU 13 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 56.01 56.01 1def n LEU 13 Cb 0.15 0.06 0.00 0.00 -0.00 0.00 0.00 43.42 43.63 1def n LEU 13 CO -0.06 -0.17 0.00 -1.14 -0.00 0.00 0.00 177.39 176.02 1def n ARG 14 N -1.84 0.00 -0.26 1.47 3.00 -1.26 -5.10 116.66 112.67 1def n ARG 14 Ca 0.00 0.00 0.20 0.00 -0.00 0.00 0.00 57.85 58.05 1def n ARG 14 Cb 0.00 0.00 0.32 0.00 0.00 0.00 0.00 32.46 32.78 1def n ARG 14 CO 0.00 0.00 0.00 1.17 0.00 0.00 0.00 177.63 178.80 1def n LYS 15 N 0.00 -0.01 0.00 -0.14 3.00 -1.26 -4.88 118.16 114.87 1def n LYS 15 Ca 0.00 0.48 0.00 0.00 -0.00 0.00 0.00 58.31 58.79 1def n LYS 15 Cb 0.00 -1.04 0.00 0.00 0.00 0.00 0.00 35.03 33.99 1def n LYS 15 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 177.40 177.68 1def n VAL 16 N -3.07 0.00 -1.35 3.15 0.31 -1.26 -4.36 118.33 111.75 1def n VAL 16 Ca 0.18 0.00 0.00 0.00 -0.01 0.00 0.00 64.34 64.51 1def n VAL 16 Cb 0.77 0.00 0.00 0.00 -0.91 0.00 0.00 33.84 33.70 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 -1.50 -3.17 3.52 0.00 -1.26 -4.96 120.51 113.14 1def n ALA 17 Ca 0.00 0.25 -0.23 0.00 0.00 0.00 0.00 53.44 53.46 1def n ALA 17 Cb 0.00 -1.00 -0.05 0.00 0.00 0.00 0.00 19.45 18.40 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 -1.43 1.63 -1.88 0.00 4.81 -1.26 -5.05 118.16 114.99 1def n LYS 18 Ca 0.00 -3.86 -0.35 0.00 -0.87 0.00 0.00 58.31 53.23 1def n LYS 18 Cb 0.09 -1.77 0.04 0.00 0.02 0.00 0.00 35.03 33.41 1def n LYS 18 CO 0.00 0.00 0.00 -1.25 1.17 0.00 0.00 177.40 177.32 1def s PRO 19 N -2.32 2.82 0.15 1.64 0.04 -1.26 -3.48 135.00 132.59 1def s PRO 19 Ca 0.41 1.71 0.01 0.00 0.04 0.00 0.00 61.00 63.16 1def s PRO 19 Cb 0.25 -1.92 -0.04 0.00 0.04 0.00 0.00 34.50 32.83 1def s PRO 19 CO -0.09 -1.29 0.02 0.08 0.04 0.00 0.00 177.00 175.76 1def s VAL 20 N -1.82 0.44 0.00 -0.36 1.01 -1.26 -4.82 120.40 113.58 1def s VAL 20 Ca 0.74 -1.94 0.00 0.00 0.00 0.00 0.00 61.98 60.78 1def s VAL 20 Cb -0.28 -2.05 0.00 0.00 0.00 0.00 0.00 36.38 34.05 1def s VAL 20 CO 0.36 -0.51 0.24 -1.84 0.00 0.00 0.00 175.10 173.35 1def n GLU 21 N -0.16 0.00 0.01 2.72 0.28 -1.26 -4.69 120.64 117.54 1def n GLU 21 Ca -0.07 -0.18 0.00 0.00 -0.16 0.00 0.00 57.16 56.76 1def n GLU 21 Cb 0.63 -0.15 0.00 0.00 1.43 0.00 0.00 31.44 33.35 1def n GLU 21 CO 0.00 0.00 0.00 0.39 -0.16 0.00 0.00 177.13 177.36 1def n GLU 22 N 0.00 0.00 -0.83 3.44 1.02 -1.26 -4.97 120.64 118.04 1def n GLU 22 Ca 0.00 0.00 0.06 0.00 -0.02 0.00 0.00 57.16 57.20 1def n GLU 22 Cb 0.51 -0.04 -0.03 0.00 -0.02 0.00 0.00 31.44 31.85 1def n GLU 22 CO 0.00 0.00 0.00 0.28 1.18 0.00 0.00 177.13 178.59 1def n VAL 23 N -2.64 -0.96 -2.09 2.62 0.31 -1.26 -4.76 118.33 109.54 1def n VAL 23 Ca 0.00 0.65 0.00 0.00 -0.01 0.00 0.00 64.34 64.98 1def n VAL 23 Cb 0.00 -1.02 0.00 0.00 -0.91 0.00 0.00 33.84 31.91 1def n VAL 23 CO 0.00 0.00 0.00 -0.46 -1.32 0.00 0.00 176.83 175.05 1def n ASN 24 N -2.84 0.01 -0.07 4.52 0.23 -1.26 -4.95 115.26 110.91 1def n ASN 24 Ca -0.03 0.00 -0.14 0.00 -0.53 0.00 0.00 54.58 53.88 1def n ASN 24 Cb 0.34 0.00 -0.13 0.00 -2.08 0.00 0.00 39.78 37.91 1def n ASN 24 CO 0.00 0.00 0.00 0.00 -0.93 0.00 0.00 177.26 176.33 1def h ALA 25 N 1.00 -0.00 -0.92 -2.53 0.00 -1.95 -3.34 119.26 111.52 1def h ALA 25 Ca 0.00 -0.50 0.26 0.00 0.00 0.00 0.00 54.91 54.67 1def h ALA 25 Cb 0.00 0.00 -0.16 0.00 0.00 0.00 0.00 17.79 17.64 1def h ALA 25 CO 0.00 0.00 0.21 1.49 0.00 0.00 0.00 179.25 180.95 1def h GLU 26 N -0.98 0.13 -0.98 0.00 4.22 -1.98 0.49 114.58 115.47 1def h GLU 26 Ca -0.00 -0.01 0.33 0.00 0.08 0.00 0.00 59.36 59.76 1def h GLU 26 Cb 1.00 -0.03 -0.17 0.00 0.50 0.00 0.00 28.75 30.06 1def h GLU 26 CO 0.00 0.08 0.40 0.82 -2.18 0.00 0.00 179.01 178.13 1def h ILE 27 N 0.13 0.14 -0.95 2.32 5.03 -1.97 0.16 117.51 122.37 1def h ILE 27 Ca 0.59 -0.04 0.18 0.00 -0.12 0.00 0.00 64.86 65.46 1def h ILE 27 Cb 1.25 0.00 -0.17 0.00 -3.03 0.00 0.00 36.82 34.87 1def h ILE 27 CO -0.74 0.02 -0.29 -0.61 -0.68 0.00 0.00 178.15 175.86 1def h GLN 28 N 0.13 -0.01 -0.28 2.37 -0.00 -1.08 0.71 115.11 116.95 1def h GLN 28 Ca 0.72 0.00 0.02 0.00 -0.00 0.00 0.00 58.65 59.39 1def h GLN 28 Cb 1.69 0.00 -0.03 0.00 0.00 0.00 0.00 27.48 29.14 1def h GLN 28 CO -0.73 -0.01 -0.16 0.54 0.00 0.00 0.00 178.83 178.47 1def n ARG 29 N -5.56 -0.12 -0.32 1.69 5.12 0.55 0.15 116.66 118.17 1def n ARG 29 Ca 0.13 0.93 0.17 0.00 -1.93 0.00 0.00 57.85 57.16 1def n ARG 29 Cb 0.45 -1.39 0.37 0.00 -1.16 0.00 0.00 32.46 30.73 1def n ARG 29 CO 0.00 0.00 0.00 0.82 -1.93 0.00 0.00 177.63 176.52 1def h ILE 30 N 0.00 0.34 0.16 0.55 1.08 -1.00 0.93 117.51 119.57 1def h ILE 30 Ca 0.04 -0.10 -0.01 0.00 -0.39 0.00 0.00 64.86 64.40 1def h ILE 30 Cb 0.11 0.02 0.00 0.00 -3.07 0.00 0.00 36.82 33.88 1def h ILE 30 CO -0.26 0.05 -0.08 0.58 -0.69 0.00 0.00 178.15 177.76 1def h VAL 31 N 0.30 0.95 0.00 1.67 2.07 0.17 0.39 116.25 121.80 1def h VAL 31 Ca 0.63 -0.55 0.00 0.00 0.82 0.00 0.00 66.70 67.59 1def h VAL 31 Cb 1.32 1.29 0.00 0.00 -1.52 0.00 0.00 31.29 32.38 1def h VAL 31 CO -0.61 0.13 0.00 -0.78 0.02 0.00 0.00 177.57 176.33 1def h ASP 32 N -0.49 0.00 1.38 0.57 1.82 0.12 -2.29 116.42 117.54 1def h ASP 32 Ca -0.02 0.00 -0.13 0.00 -0.39 0.00 0.00 57.03 56.49 1def h ASP 32 Cb 0.38 0.00 -0.02 0.00 0.68 0.00 0.00 39.33 40.37 1def h ASP 32 CO 0.04 0.00 -0.60 0.44 -1.61 0.00 0.00 179.24 177.50 1def h ASP 33 N 0.00 0.00 0.78 2.28 5.19 0.14 -0.03 116.42 124.78 1def h ASP 33 Ca 0.00 0.00 0.00 0.00 -0.62 0.00 0.00 57.03 56.41 1def h ASP 33 Cb 0.50 0.00 0.00 0.00 0.18 0.00 0.00 39.33 40.01 1def h ASP 33 CO 0.00 0.60 -0.94 0.80 -3.12 0.00 0.00 179.24 176.59 1def n MET 34 N -3.26 0.44 0.09 3.56 1.56 0.13 -1.05 117.12 118.58 1def n MET 34 Ca 0.02 0.07 -0.12 0.00 -0.27 0.00 0.00 57.70 57.39 1def n MET 34 Cb 0.77 -1.72 -0.08 0.00 2.15 0.00 0.00 33.22 34.35 1def n MET 34 CO 0.00 0.00 0.00 0.74 -0.73 0.00 0.00 175.97 175.98 1def h PHE 35 N 0.00 -0.25 -1.15 1.12 -1.00 -1.27 1.25 116.94 115.64 1def h PHE 35 Ca 0.00 -0.01 0.34 0.00 2.81 0.00 0.00 57.97 61.12 1def h PHE 35 Cb 0.86 0.08 -0.11 0.00 3.61 0.00 0.00 35.95 40.39 1def h PHE 35 CO 0.00 0.15 0.74 0.93 -1.61 0.00 0.00 178.31 178.51 1def h GLU 36 N -0.78 0.25 0.00 1.51 5.08 -0.92 0.15 114.58 119.86 1def h GLU 36 Ca -0.03 -0.01 0.00 0.00 -1.00 0.00 0.00 59.36 58.32 1def h GLU 36 Cb 0.51 -0.06 0.00 0.00 0.50 0.00 0.00 28.75 29.71 1def h GLU 36 CO 0.05 0.16 -0.04 1.15 -1.00 0.00 0.00 179.01 179.33 1def h THR 37 N 0.25 0.00 -0.49 1.13 2.02 -0.43 -2.63 112.91 112.76 1def h THR 37 Ca 0.70 -0.09 0.09 0.00 0.77 0.00 0.00 66.41 67.87 1def h THR 37 Cb 1.97 0.00 -0.09 0.00 -1.74 0.00 0.00 68.15 68.30 1def h THR 37 CO -0.37 0.00 -0.17 0.80 0.37 0.00 0.00 175.52 176.15 1def n MET 38 N -2.44 -0.09 0.09 6.66 0.00 0.42 0.16 117.12 121.92 1def n MET 38 Ca -0.01 0.76 -0.13 0.00 -0.00 0.00 0.00 57.70 58.33 1def n MET 38 Cb 0.02 -1.14 -0.08 0.00 0.00 0.00 0.00 33.22 32.02 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 -0.20 -0.64 1.12 0.05 -1.09 -2.94 116.97 113.27 1def h TYR 39 Ca 0.20 -0.00 -0.41 0.00 0.05 0.00 0.00 58.73 58.56 1def h TYR 39 Cb 0.32 0.07 -0.19 0.00 1.01 0.00 0.00 36.73 37.94 1def h TYR 39 CO -0.41 0.10 0.53 0.00 -1.05 0.00 0.00 178.16 177.32 1def n ALA 40 N -2.35 5.23 -0.08 3.88 0.00 0.34 -4.34 120.51 123.20 1def n ALA 40 Ca -0.09 -2.13 -0.06 0.00 0.00 0.00 0.00 53.44 51.16 1def n ALA 40 Cb 0.21 -1.44 -0.02 0.00 0.00 0.00 0.00 19.45 18.20 1def n ALA 40 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 1def n GLU 41 N -0.19 0.48 -3.74 0.00 2.13 0.42 -4.47 120.64 115.26 1def n GLU 41 Ca 0.40 0.44 -0.27 0.00 0.66 0.00 0.00 57.16 58.39 1def n GLU 41 Cb 0.78 -1.62 0.03 0.00 0.27 0.00 0.00 31.44 30.89 1def n GLU 41 CO 0.00 0.00 0.00 -1.91 -0.41 0.00 0.00 177.13 174.81 1def n GLU 42 N -4.57 -2.52 -3.65 5.31 4.07 -1.26 -2.99 120.64 115.04 1def n GLU 42 Ca -0.10 0.49 -0.23 0.00 -0.06 0.00 0.00 57.16 57.26 1def n GLU 42 Cb 0.35 -4.49 0.01 0.00 -0.06 0.00 0.00 31.44 27.24 1def n GLU 42 CO 0.00 0.00 0.00 0.41 -0.06 0.00 0.00 177.13 177.48 1def n GLY 43 N -1.73 -0.66 0.12 8.31 0.00 -1.26 -4.87 105.19 105.10 1def n GLY 43 Ca -0.19 0.29 -0.17 0.00 0.00 0.00 0.00 46.02 45.95 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 -2.72 1.38 0.00 -0.61 -5.35 -1.16 -5.05 119.36 105.85 1def n ILE 44 Ca -0.13 -0.53 0.00 0.00 -0.27 0.00 0.00 62.75 61.82 1def n ILE 44 Cb 0.39 -1.35 0.00 0.00 -1.74 0.00 0.00 39.64 36.94 1def n ILE 44 CO 0.00 0.00 0.00 0.61 -1.76 0.00 0.00 176.55 175.40 1def n GLY 45 N 2.35 0.61 3.93 3.28 0.00 -1.26 -4.70 105.19 109.40 1def n GLY 45 Ca -0.43 -0.68 -0.25 0.00 0.00 0.00 0.00 46.02 44.67 1def n GLY 45 CO 0.00 0.00 0.00 0.48 0.00 0.00 0.00 173.32 173.80 1def s LEU 46 N 0.00 3.36 0.12 0.99 2.34 -1.26 -4.96 118.68 119.27 1def s LEU 46 Ca 0.00 0.53 -0.03 0.00 0.06 0.00 0.00 54.13 54.69 1def s LEU 46 Cb 0.00 -3.38 -0.03 0.00 -0.56 0.00 0.00 46.19 42.22 1def s LEU 46 CO 0.00 -0.96 0.10 0.00 -1.06 0.00 0.00 176.35 174.43 1def s ALA 47 N -2.84 0.53 -0.60 1.48 0.00 -1.26 -4.50 121.76 114.56 1def s ALA 47 Ca 0.52 -1.23 0.06 0.00 0.00 0.00 0.00 51.96 51.32 1def s ALA 47 Cb -0.10 0.73 0.26 0.00 0.00 0.00 0.00 23.12 24.01 1def s ALA 47 CO 0.42 -0.50 0.74 0.00 0.00 0.00 0.00 175.76 176.42 1def n ALA 48 N -0.08 3.90 0.00 0.00 0.00 -1.22 -4.84 120.51 118.27 1def n ALA 48 Ca -0.08 -4.58 0.00 0.00 0.00 0.00 0.00 53.44 48.78 1def n ALA 48 Cb 0.63 -0.87 0.00 0.00 0.00 0.00 0.00 19.45 19.20 1def n ALA 48 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.50 179.91 1def n THR 49 N 0.81 0.00 0.00 0.00 -1.04 -1.26 -4.57 114.28 108.22 1def n THR 49 Ca 0.29 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.30 1def n THR 49 Cb 0.43 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.94 1def n THR 49 CO 0.00 0.00 0.00 0.00 -0.64 0.00 0.00 175.07 174.43 1def n GLN 50 N 0.00 0.00 0.00 -2.82 6.02 -1.26 -4.65 117.38 114.67 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 1.33 -1.01 0.00 0.00 177.06 177.38 1def n VAL 51 N 0.00 0.00 0.00 5.09 0.24 -1.26 -1.25 118.33 121.15 1def n VAL 51 Ca 0.00 0.02 0.00 0.00 -2.04 0.00 0.00 64.34 62.32 1def n VAL 51 Cb 0.00 -0.70 0.00 0.00 -1.47 0.00 0.00 33.84 31.67 1def n VAL 51 CO 0.00 0.00 0.00 -0.67 -2.14 0.00 0.00 176.83 174.02 1def n ASP 52 N -1.40 0.00 -3.70 -1.34 2.03 -1.26 -4.07 116.55 106.81 1def n ASP 52 Ca 0.00 0.00 -0.11 0.00 0.52 0.00 0.00 54.79 55.20 1def n ASP 52 Cb 0.00 0.23 -0.11 0.00 -0.72 0.00 0.00 41.12 40.52 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 -1.56 -0.06 -0.35 5.18 1.01 -1.26 -4.95 121.20 119.21 1def s ILE 53 Ca 0.00 0.11 0.13 0.00 0.00 0.00 0.00 60.65 60.89 1def s ILE 53 Cb 0.00 -0.58 0.42 0.00 0.01 0.00 0.00 42.46 42.31 1def s ILE 53 CO 0.00 0.04 1.35 0.00 0.00 0.00 0.00 174.94 176.34 1def n HIS 54 N 4.32 -1.44 -2.44 3.97 1.44 -1.26 -4.68 115.22 115.12 1def n HIS 54 Ca -0.23 -1.97 -0.25 0.00 -2.01 0.00 0.00 57.72 53.26 1def n HIS 54 Cb 0.55 1.13 0.13 0.00 0.12 0.00 0.00 29.99 31.92 1def n HIS 54 CO 0.00 0.00 0.00 -1.14 -2.81 0.00 0.00 176.34 172.39 1def s GLN 55 N -0.71 1.43 0.00 -1.40 0.74 -1.26 -4.02 119.66 114.43 1def s GLN 55 Ca 0.18 -0.97 0.00 0.00 0.05 0.00 0.00 55.36 54.62 1def s GLN 55 Cb 0.42 -2.22 0.00 0.00 1.10 0.00 0.00 33.01 32.30 1def s GLN 55 CO -0.08 -1.68 0.00 2.89 -0.55 0.00 0.00 175.29 175.87 1def n ARG 56 N -3.05 0.00 -0.50 1.67 0.00 -1.23 -4.69 116.66 108.87 1def n ARG 56 Ca 0.15 0.00 -0.19 0.00 -0.00 0.00 0.00 57.85 57.81 1def n ARG 56 Cb 0.60 0.00 -0.03 0.00 -0.00 0.00 0.00 32.46 33.04 1def n ARG 56 CO 0.00 0.00 0.00 -0.89 0.00 0.00 0.00 177.63 176.74 1def n ILE 57 N 0.00 0.00 -4.74 8.89 5.41 -1.26 -3.52 119.36 124.13 1def n ILE 57 Ca 0.00 0.00 -0.33 0.00 1.00 0.00 0.00 62.75 63.42 1def n ILE 57 Cb 0.00 -0.10 -0.07 0.00 -0.71 0.00 0.00 39.64 38.76 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 0.94 0.00 -4.14 1.39 -5.35 0.40 -4.40 119.36 108.21 1def n ILE 58 Ca 0.08 -2.49 -0.10 0.00 -0.27 0.00 0.00 62.75 59.97 1def n ILE 58 Cb -0.00 0.57 -0.10 0.00 -1.74 0.00 0.00 39.64 38.36 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 -2.95 0.58 0.01 7.28 -7.23 -1.25 -0.70 120.40 116.14 1def s VAL 59 Ca 0.04 -1.78 -0.09 0.00 -1.81 0.00 0.00 61.98 58.34 1def s VAL 59 Cb 0.00 -1.48 0.01 0.00 0.56 0.00 0.00 36.38 35.47 1def s VAL 59 CO 0.03 -0.82 0.19 0.27 -0.31 0.00 0.00 175.10 174.45 1def s ILE 60 N -3.33 0.09 0.08 -0.62 -0.00 -0.07 -4.60 121.20 112.74 1def s ILE 60 Ca 0.08 -0.75 0.06 0.00 -0.00 0.00 0.00 60.65 60.04 1def s ILE 60 Cb 0.03 -0.66 -0.03 0.00 -0.00 0.00 0.00 42.46 41.81 1def s ILE 60 CO -0.05 -0.41 -0.15 -1.81 -0.00 0.00 0.00 174.94 172.52 1def s ASP 61 N -1.66 1.83 -0.04 4.36 1.01 -1.26 0.11 116.67 121.02 1def s ASP 61 Ca -0.11 -0.62 0.12 0.00 0.71 0.00 0.00 52.55 52.65 1def s ASP 61 Cb -0.05 -0.07 0.21 0.00 1.01 0.00 0.00 42.92 44.03 1def s ASP 61 CO -0.00 -0.05 1.10 1.33 0.21 0.00 0.00 175.17 177.76 1def n VAL 62 N 1.27 0.51 -0.64 -1.27 0.24 -1.26 -4.83 118.33 112.36 1def n VAL 62 Ca -0.21 -0.97 -0.21 0.00 -2.04 0.00 0.00 64.34 60.91 1def n VAL 62 Cb 0.54 0.46 -0.01 0.00 -1.47 0.00 0.00 33.84 33.36 1def n VAL 62 CO 0.00 0.00 0.00 -1.54 -2.14 0.00 0.00 176.83 173.15 1def n SER 63 N -0.19 -0.77 0.00 -1.34 3.41 -1.26 -4.96 113.62 108.51 1def n SER 63 Ca 0.06 0.49 0.00 0.00 -0.26 0.00 0.00 58.87 59.16 1def n SER 63 Cb 0.82 -0.43 0.00 0.00 -0.26 0.00 0.00 64.21 64.34 1def n SER 63 CO 0.00 0.00 0.00 -0.62 -0.16 0.00 0.00 175.04 174.26 1def n GLU 64 N 0.50 0.00 0.10 4.33 1.02 -1.26 -5.02 120.64 120.32 1def n GLU 64 Ca 0.08 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.22 1def n GLU 64 Cb 0.13 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.55 1def n GLU 64 CO 0.00 0.00 0.00 0.27 1.18 0.00 0.00 177.13 178.58 1def n ASN 65 N -0.83 -0.03 -2.70 1.62 2.04 -1.26 -4.87 115.26 109.22 1def n ASN 65 Ca 0.00 0.34 -0.26 0.00 -0.44 0.00 0.00 54.58 54.22 1def n ASN 65 Cb 0.00 0.25 -0.02 0.00 -2.53 0.00 0.00 39.78 37.49 1def n ASN 65 CO 0.00 0.00 0.00 -1.14 -0.44 0.00 0.00 177.26 175.68 1def n ARG 66 N -3.24 3.23 -4.11 -3.83 0.63 -1.26 -5.02 116.66 103.07 1def n ARG 66 Ca 0.00 -4.61 -0.24 0.00 -0.92 0.00 0.00 57.85 52.08 1def n ARG 66 Cb 0.00 -2.21 -0.07 0.00 0.45 0.00 0.00 32.46 30.64 1def n ARG 66 CO 0.00 0.00 0.00 0.34 -2.51 0.00 0.00 177.63 175.46 1def s ASP 67 N -3.48 4.52 0.36 6.15 2.15 -1.26 -5.14 116.67 119.96 1def s ASP 67 Ca 0.48 -0.94 0.09 0.00 0.43 0.00 0.00 52.55 52.60 1def s ASP 67 Cb 0.35 -0.58 -0.06 0.00 -0.30 0.00 0.00 42.92 42.33 1def s ASP 67 CO -0.16 -0.43 -0.02 -0.70 -0.17 0.00 0.00 175.17 173.69 1def s GLU 68 N -3.87 1.97 0.70 4.34 -6.30 -1.26 -4.76 118.70 109.51 1def s GLU 68 Ca 0.40 -1.88 -0.01 0.00 -2.50 0.00 0.00 54.97 50.98 1def s GLU 68 Cb 0.01 -1.80 0.11 0.00 0.00 0.00 0.00 34.13 32.45 1def s GLU 68 CO 0.22 0.10 0.97 1.03 0.02 0.00 0.00 175.26 177.60 1def s ARG 69 N -3.68 1.80 0.48 4.30 1.81 -1.26 -4.36 118.95 118.04 1def s ARG 69 Ca 0.34 -1.03 0.08 0.00 -1.72 0.00 0.00 55.73 53.40 1def s ARG 69 Cb 0.03 -2.34 0.03 0.00 -0.45 0.00 0.00 34.95 32.21 1def s ARG 69 CO 0.18 -1.35 0.56 -0.51 -0.68 0.00 0.00 175.30 173.50 1def s LEU 70 N -5.10 3.30 0.18 2.53 1.02 0.12 -4.88 118.68 115.85 1def s LEU 70 Ca 0.65 -0.74 0.05 0.00 0.02 0.00 0.00 54.13 54.11 1def s LEU 70 Cb -0.06 -2.01 -0.05 0.00 0.02 0.00 0.00 46.19 44.09 1def s LEU 70 CO 0.44 -0.94 -0.10 -0.69 0.02 0.00 0.00 176.35 175.07 1def s VAL 71 N -2.53 1.35 -0.29 -1.59 1.01 -1.24 -0.89 120.40 116.22 1def s VAL 71 Ca 0.52 -2.11 -0.14 0.00 0.00 0.00 0.00 61.98 60.26 1def s VAL 71 Cb -0.06 -2.00 0.12 0.00 0.00 0.00 0.00 36.38 34.44 1def s VAL 71 CO 0.32 -0.62 0.76 -0.22 0.00 0.00 0.00 175.10 175.33 1def s LEU 72 N -3.24 -0.91 0.00 3.92 2.96 0.12 -4.69 118.68 116.84 1def s LEU 72 Ca 0.21 1.33 0.00 0.00 -0.22 0.00 0.00 54.13 55.45 1def s LEU 72 Cb 0.02 2.16 0.00 0.00 0.50 0.00 0.00 46.19 48.87 1def s LEU 72 CO 0.04 -0.20 0.00 2.30 -1.32 0.00 0.00 176.35 177.17 1def n ILE 73 N 4.75 0.00 -2.46 6.68 -5.35 -1.26 0.15 119.36 121.86 1def n ILE 73 Ca -0.15 0.00 -0.33 0.00 -0.27 0.00 0.00 62.75 62.00 1def n ILE 73 Cb 0.54 -0.67 0.01 0.00 -1.74 0.00 0.00 39.64 37.78 1def n ILE 73 CO 0.00 0.00 0.00 -0.46 -1.76 0.00 0.00 176.55 174.33 1def n ASN 74 N 0.00 5.92 -3.67 7.28 2.04 -1.23 -4.44 115.26 121.16 1def n ASN 74 Ca 0.00 -3.74 -0.10 0.00 -0.44 0.00 0.00 54.58 50.30 1def n ASN 74 Cb 0.00 -0.78 0.07 0.00 -2.53 0.00 0.00 39.78 36.54 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 -0.37 -1.08 -3.84 -0.53 -0.04 -1.26 -4.46 135.00 123.42 1def n PRO 75 Ca 0.43 -0.32 -0.29 0.00 -0.04 0.00 0.00 63.50 63.28 1def n PRO 75 Cb 0.41 -1.21 -0.13 0.00 -0.04 0.00 0.00 33.50 32.53 1def n PRO 75 CO 0.00 0.00 0.00 -2.00 -0.04 0.00 0.00 175.50 173.46 1def s GLU 76 N -2.69 2.03 0.56 0.54 -6.30 -0.98 -4.84 118.70 107.03 1def s GLU 76 Ca 0.18 -2.85 0.07 0.00 -2.50 0.00 0.00 54.97 49.86 1def s GLU 76 Cb -0.02 -3.07 0.07 0.00 0.00 0.00 0.00 34.13 31.11 1def s GLU 76 CO 0.18 -1.23 0.78 -0.48 0.02 0.00 0.00 175.26 174.52 1def s LEU 77 N -0.75 3.22 0.07 2.70 0.05 -1.26 -1.51 118.68 121.20 1def s LEU 77 Ca 0.22 -0.62 0.00 0.00 0.05 0.00 0.00 54.13 53.78 1def s LEU 77 Cb -0.13 -2.00 0.00 0.00 -2.05 0.00 0.00 46.19 42.02 1def s LEU 77 CO -0.10 -1.29 0.00 -0.11 -0.55 0.00 0.00 176.35 174.30 1def n LEU 78 N -2.26 0.65 -4.59 1.48 7.94 -0.26 -4.85 117.00 115.10 1def n LEU 78 Ca 0.13 0.10 -0.24 0.00 -1.11 0.00 0.00 56.01 54.90 1def n LEU 78 Cb 0.61 -0.18 -0.08 0.00 0.53 0.00 0.00 43.42 44.29 1def n LEU 78 CO 0.40 -0.49 -0.36 -0.70 -1.11 0.00 0.00 177.39 175.13 1def s GLU 79 N -2.00 2.07 -0.46 1.96 2.12 0.17 -4.94 118.70 117.62 1def s GLU 79 Ca 0.00 -1.60 0.06 0.00 0.36 0.00 0.00 54.97 53.79 1def s GLU 79 Cb 0.00 -2.00 0.20 0.00 0.26 0.00 0.00 34.13 32.59 1def s GLU 79 CO 0.00 0.30 0.60 0.36 -0.54 0.00 0.00 175.26 175.97 1def n LYS 80 N -0.83 0.47 -3.54 4.30 2.85 -1.26 -0.55 118.16 119.60 1def n LYS 80 Ca -0.05 -2.52 -0.37 0.00 -1.05 0.00 0.00 58.31 54.31 1def n LYS 80 Cb 0.60 -1.51 -0.06 0.00 -0.65 0.00 0.00 35.03 33.41 1def n LYS 80 CO 0.00 0.00 0.00 -1.54 -0.05 0.00 0.00 177.40 175.81 1def s SER 81 N 0.00 6.62 0.00 -5.58 1.04 0.41 -4.87 113.70 111.33 1def s SER 81 Ca 0.32 0.74 0.00 0.00 0.48 0.00 0.00 55.95 57.49 1def s SER 81 Cb 0.06 -2.21 0.00 0.00 0.10 0.00 0.00 66.02 63.98 1def s SER 81 CO -0.14 0.22 0.00 0.61 0.98 0.00 0.00 173.24 174.92 1def n GLY 82 N 2.51 -0.01 0.00 7.32 0.00 -1.26 0.73 105.19 114.48 1def n GLY 82 Ca -0.13 -1.91 0.00 0.00 0.00 0.00 0.00 46.02 43.98 1def n GLY 82 CO 0.00 0.00 0.00 1.18 0.00 0.00 0.00 173.32 174.50 1def n GLU 83 N -0.07 1.08 0.00 1.61 1.02 -1.26 -3.51 120.64 119.51 1def n GLU 83 Ca 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 57.16 57.14 1def n GLU 83 Cb 0.00 0.00 0.00 0.00 -0.02 0.00 0.00 31.44 31.42 1def n GLU 83 CO 0.00 0.00 0.00 0.25 1.18 0.00 0.00 177.13 178.56 1def n THR 84 N 0.00 0.00 0.00 2.62 -2.24 -1.22 -3.23 114.28 110.21 1def n THR 84 Ca 0.00 0.00 0.00 0.00 -2.27 0.00 0.00 64.05 61.78 1def n THR 84 Cb 0.00 0.00 0.00 0.00 -2.10 0.00 0.00 70.33 68.23 1def n THR 84 CO 0.00 0.00 0.00 0.61 -0.57 0.00 0.00 175.07 175.11 1def n GLY 85 N 0.00 -1.90 3.16 3.38 0.00 -1.14 -4.50 105.19 104.20 1def n GLY 85 Ca 0.00 -0.63 -0.10 0.00 0.00 0.00 0.00 46.02 45.29 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 0.22 -0.96 -0.61 -0.00 -1.26 -4.99 121.20 113.60 1def s ILE 86 Ca 0.00 -1.92 -0.18 0.00 -0.00 0.00 0.00 60.65 58.55 1def s ILE 86 Cb 0.00 -2.02 0.14 0.00 -0.00 0.00 0.00 42.46 40.58 1def s ILE 86 CO 0.00 -0.51 1.15 -1.61 -0.00 0.00 0.00 174.94 173.97 1def s GLU 87 N -4.01 3.66 0.00 0.37 2.02 -1.25 -3.95 118.70 115.54 1def s GLU 87 Ca 0.23 -1.88 0.00 0.00 0.02 0.00 0.00 54.97 53.33 1def s GLU 87 Cb 0.07 -4.92 0.00 0.00 0.10 0.00 0.00 34.13 29.38 1def s GLU 87 CO 0.01 -1.76 0.00 0.39 0.02 0.00 0.00 175.26 173.93 1def n GLU 88 N 6.35 1.63 -3.49 1.61 -0.58 -0.96 -4.81 120.64 120.40 1def n GLU 88 Ca 0.25 0.00 -0.42 0.00 -0.42 0.00 0.00 57.16 56.57 1def n GLU 88 Cb 0.48 0.00 -0.09 0.00 -0.57 0.00 0.00 31.44 31.26 1def n GLU 88 CO 0.00 0.00 0.00 0.20 -0.48 0.00 0.00 177.13 176.85 1def s GLY 89 N -0.63 2.00 -0.84 0.62 0.00 -1.26 -1.68 107.32 105.53 1def s GLY 89 Ca 0.00 -1.92 -0.19 0.00 0.00 0.00 0.00 44.72 42.62 1def s GLY 89 CO 0.00 0.95 1.00 0.00 0.00 0.00 0.00 173.10 175.06 1def n LEU 91 N 6.33 0.00 -0.04 0.00 4.77 -1.25 -4.73 117.00 122.08 1def n LEU 91 Ca 0.15 0.00 0.02 0.00 -0.03 0.00 0.00 56.01 56.15 1def n LEU 91 Cb 0.47 0.00 0.04 0.00 -2.33 0.00 0.00 43.42 41.61 1def n LEU 91 CO 0.51 0.00 0.09 -1.20 -1.33 0.00 0.00 177.39 175.46 1def n SER 92 N 0.15 0.00 -3.92 -1.43 7.64 -1.26 -1.33 113.62 113.48 1def n SER 92 Ca 0.00 0.18 -0.30 0.00 1.01 0.00 0.00 58.87 59.76 1def n SER 92 Cb 0.00 -0.07 -0.14 0.00 -1.01 0.00 0.00 64.21 62.99 1def n SER 92 CO 0.00 0.00 0.00 -0.63 -3.01 0.00 0.00 175.04 171.40 1def s ILE 93 N -4.60 2.41 -0.47 0.44 -1.09 -1.26 -2.42 121.20 114.21 1def s ILE 93 Ca -0.01 -3.18 -0.04 0.00 -2.23 0.00 0.00 60.65 55.18 1def s ILE 93 Cb 0.03 -2.68 0.01 0.00 -1.58 0.00 0.00 42.46 38.24 1def s ILE 93 CO 0.08 -0.81 2.89 -0.81 -1.23 0.00 0.00 174.94 175.07 1def n PRO 94 N 3.21 2.54 -0.01 2.79 -0.04 -0.44 -4.25 135.00 138.80 1def n PRO 94 Ca 0.05 -2.21 -0.19 0.00 -0.04 0.00 0.00 63.50 61.12 1def n PRO 94 Cb 0.33 -2.17 -0.14 0.00 -0.04 0.00 0.00 33.50 31.48 1def n PRO 94 CO 0.00 0.00 0.00 -1.91 -0.04 0.00 0.00 175.50 173.55 1def n GLU 95 N 1.27 0.73 -3.29 0.54 2.13 -1.26 -4.76 120.64 116.00 1def n GLU 95 Ca 0.50 0.25 -0.18 0.00 0.66 0.00 0.00 57.16 58.38 1def n GLU 95 Cb 0.58 -1.70 -0.00 0.00 0.27 0.00 0.00 31.44 30.59 1def n GLU 95 CO 0.00 0.00 0.00 -1.14 -0.41 0.00 0.00 177.13 175.58 1def s GLN 96 N -2.56 2.90 0.20 5.31 2.00 -1.26 -5.07 119.66 121.18 1def s GLN 96 Ca -0.20 -1.18 0.04 0.00 -2.00 0.00 0.00 55.36 52.01 1def s GLN 96 Cb 0.07 -2.73 -0.05 0.00 0.80 0.00 0.00 33.01 31.10 1def s GLN 96 CO 0.77 -0.11 -0.03 1.03 -0.50 0.00 0.00 175.29 176.44 1def s ARG 97 N -4.24 1.23 0.08 1.67 0.52 -1.26 -4.12 118.95 112.83 1def s ARG 97 Ca 0.50 -1.59 -0.15 0.00 -0.52 0.00 0.00 55.73 53.97 1def s ARG 97 Cb -0.09 -0.59 0.05 0.00 0.52 0.00 0.00 34.95 34.84 1def s ARG 97 CO 0.31 -0.05 0.69 0.00 0.02 0.00 0.00 175.30 176.27 1def n ALA 98 N -0.34 -1.84 -1.48 2.13 0.00 -0.68 -2.46 120.51 115.84 1def n ALA 98 Ca -0.07 -0.60 0.06 0.00 0.00 0.00 0.00 53.44 52.83 1def n ALA 98 Cb 0.63 0.28 0.20 0.00 0.00 0.00 0.00 19.45 20.56 1def n ALA 98 CO 0.00 0.00 0.00 -0.11 0.00 0.00 0.00 177.50 177.39 1def n LEU 99 N 0.00 2.78 -0.16 0.00 7.94 -1.07 -2.27 117.00 124.23 1def n LEU 99 Ca -0.00 -3.74 0.07 0.00 -1.11 0.00 0.00 56.01 51.23 1def n LEU 99 Cb 0.36 -0.52 0.14 0.00 0.53 0.00 0.00 43.42 43.93 1def n LEU 99 CO 0.12 1.26 0.37 0.52 -1.11 0.00 0.00 177.39 178.55 1def n VAL 100 N -1.17 -0.20 -0.43 1.96 0.31 -1.26 -3.32 118.33 114.22 1def n VAL 100 Ca 0.20 1.03 -0.29 0.00 -0.01 0.00 0.00 64.34 65.27 1def n VAL 100 Cb 0.71 -1.50 0.26 0.00 -0.91 0.00 0.00 33.84 32.40 1def n VAL 100 CO 0.00 0.00 0.00 -2.65 -1.32 0.00 0.00 176.83 172.86 1def n PRO 101 N -4.52 -3.07 -1.76 5.55 -0.02 -1.25 -4.81 135.00 125.12 1def n PRO 101 Ca 0.11 -0.88 0.02 0.00 -2.02 0.00 0.00 63.50 60.73 1def n PRO 101 Cb 0.36 -2.03 0.02 0.00 -0.02 0.00 0.00 33.50 31.83 1def n PRO 101 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 1def n ARG 102 N -4.80 0.38 -4.31 -0.52 1.74 -1.26 -2.88 116.66 105.01 1def n ARG 102 Ca 0.05 -2.21 -0.18 0.00 -0.77 0.00 0.00 57.85 54.74 1def n ARG 102 Cb 0.56 -0.27 -0.10 0.00 -1.02 0.00 0.00 32.46 31.62 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 -0.76 1.84 0.00 7.54 0.00 -1.25 -3.68 121.76 125.44 1def s ALA 103 Ca 0.29 -1.55 0.00 0.00 0.00 0.00 0.00 51.96 50.70 1def s ALA 103 Cb 0.35 -0.07 0.00 0.00 0.00 0.00 0.00 23.12 23.39 1def s ALA 103 CO -0.13 0.06 0.00 -1.91 0.00 0.00 0.00 175.76 173.78 1def n GLU 104 N -0.13 0.00 -3.52 0.00 2.13 -1.20 -3.44 120.64 114.48 1def n GLU 104 Ca -0.10 0.00 -0.29 0.00 0.66 0.00 0.00 57.16 57.43 1def n GLU 104 Cb 0.59 -0.54 -0.14 0.00 0.27 0.00 0.00 31.44 31.63 1def n GLU 104 CO 0.00 0.00 0.00 0.15 -0.41 0.00 0.00 177.13 176.87 1def s LYS 105 N -1.37 0.39 -0.25 5.31 1.02 0.22 -3.13 119.74 121.94 1def s LYS 105 Ca 0.00 -0.91 -0.10 0.00 0.02 0.00 0.00 55.97 54.98 1def s LYS 105 Cb 0.00 -1.29 -0.05 0.00 -0.52 0.00 0.00 37.83 35.97 1def s LYS 105 CO 0.00 -1.10 0.14 0.14 -0.92 0.00 0.00 175.35 173.62 1def s VAL 106 N 1.62 5.13 -0.33 3.17 -7.23 0.78 -0.44 120.40 123.10 1def s VAL 106 Ca 0.13 0.10 -0.07 0.00 -1.81 0.00 0.00 61.98 60.33 1def s VAL 106 Cb -0.19 -3.40 0.03 0.00 0.56 0.00 0.00 36.38 33.38 1def s VAL 106 CO -0.20 0.33 0.11 -0.75 -0.31 0.00 0.00 175.10 174.28 1def s LYS 107 N 1.25 2.72 0.68 4.82 2.20 0.29 -0.55 119.74 131.15 1def s LYS 107 Ca 0.07 -1.11 -0.03 0.00 -0.36 0.00 0.00 55.97 54.54 1def s LYS 107 Cb -0.14 -3.46 0.09 0.00 -1.51 0.00 0.00 37.83 32.80 1def s LYS 107 CO 0.06 -0.63 0.95 0.96 -0.36 0.00 0.00 175.35 176.33 1def s ILE 108 N 1.43 2.33 -0.28 5.43 -4.36 0.06 -0.65 121.20 125.17 1def s ILE 108 Ca -0.01 -0.50 -0.02 0.00 -0.26 0.00 0.00 60.65 59.87 1def s ILE 108 Cb -0.19 -2.83 0.09 0.00 1.25 0.00 0.00 42.46 40.78 1def s ILE 108 CO 0.03 0.00 0.09 -0.13 0.24 0.00 0.00 174.94 175.17 1def s ARG 109 N -5.09 0.62 0.00 0.37 0.52 -0.57 -0.81 118.95 113.99 1def s ARG 109 Ca 0.62 -0.81 0.00 0.00 -0.52 0.00 0.00 55.73 55.02 1def s ARG 109 Cb -0.08 -1.88 0.00 0.00 0.52 0.00 0.00 34.95 33.50 1def s ARG 109 CO 0.43 -0.90 0.00 0.00 0.02 0.00 0.00 175.30 174.85 1def n ALA 110 N 4.97 0.00 -3.60 2.13 0.00 0.14 -2.31 120.51 121.83 1def n ALA 110 Ca -0.05 0.00 -0.11 0.00 0.00 0.00 0.00 53.44 53.29 1def n ALA 110 Cb 0.43 0.00 -0.10 0.00 0.00 0.00 0.00 19.45 19.78 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 -0.05 0.00 0.00 0.20 -1.26 0.17 118.68 117.74 1def s LEU 111 Ca 0.00 0.94 -0.01 0.00 0.69 0.00 0.00 54.13 55.75 1def s LEU 111 Cb 0.00 1.47 0.03 0.00 -0.43 0.00 0.00 46.19 47.26 1def s LEU 111 CO 0.00 -0.19 0.19 -0.90 -0.29 0.00 0.00 176.35 175.16 1def n ASP 112 N 3.91 0.17 -0.16 3.68 5.68 -0.26 -4.32 116.55 125.26 1def n ASP 112 Ca -0.21 -1.17 -0.04 0.00 -0.50 0.00 0.00 54.79 52.88 1def n ASP 112 Cb 0.56 -0.13 0.05 0.00 -1.14 0.00 0.00 41.12 40.46 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 0.40 -1.00 0.11 2.43 -1.97 -0.54 114.38 113.82 1def h ARG 113 Ca -0.06 -0.02 0.25 0.00 -0.81 0.00 0.00 59.98 59.33 1def h ARG 113 Cb 0.21 -0.09 -0.13 0.00 -0.42 0.00 0.00 29.97 29.55 1def h ARG 113 CO 0.06 0.26 0.58 -0.44 -1.51 0.00 0.00 179.97 178.92 1def h ASP 114 N 0.41 0.64 0.00 -3.80 3.32 -1.94 -3.44 116.42 111.61 1def h ASP 114 Ca 0.23 0.14 0.00 0.00 0.02 0.00 0.00 57.03 57.42 1def h ASP 114 Cb 0.19 0.05 0.00 0.00 0.22 0.00 0.00 39.33 39.79 1def h ASP 114 CO -0.20 0.08 0.00 0.61 -1.72 0.00 0.00 179.24 178.02 1def n GLY 115 N -1.31 0.82 3.06 2.75 0.00 -0.21 -4.97 105.19 105.33 1def n GLY 115 Ca 0.27 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.97 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 0.36 2.60 -0.07 1.61 1.02 -1.20 -4.87 119.74 119.19 1def s LYS 116 Ca 0.00 -0.68 -0.33 0.00 0.02 0.00 0.00 55.97 54.99 1def s LYS 116 Cb 0.00 -2.31 -0.10 0.00 -0.52 0.00 0.00 37.83 34.90 1def s LYS 116 CO 0.00 -0.23 1.95 -0.35 -0.92 0.00 0.00 175.35 175.80 1def n PRO 117 N 4.71 2.34 -3.74 -1.68 -0.04 -1.26 -1.10 135.00 134.23 1def n PRO 117 Ca -0.19 0.84 -0.25 0.00 -0.04 0.00 0.00 63.50 63.86 1def n PRO 117 Cb 0.50 -2.79 0.01 0.00 -0.04 0.00 0.00 33.50 31.18 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 7.37 -0.72 -3.40 0.54 -1.74 0.46 -4.83 117.46 115.13 1def n PHE 118 Ca 0.23 -2.29 -0.20 0.00 -0.56 0.00 0.00 57.45 54.63 1def n PHE 118 Cb 0.34 -0.45 -0.09 0.00 1.52 0.00 0.00 39.48 40.79 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 -4.26 0.54 0.03 3.97 2.12 -1.26 0.23 118.70 120.07 1def s GLU 119 Ca 0.33 -0.83 -0.02 0.00 0.36 0.00 0.00 54.97 54.81 1def s GLU 119 Cb -0.03 -0.87 -0.02 0.00 0.26 0.00 0.00 34.13 33.47 1def s GLU 119 CO 0.21 -1.16 0.01 -0.51 -0.54 0.00 0.00 175.26 173.27 1def s LEU 120 N 1.54 2.17 0.11 2.70 1.43 0.01 -4.92 118.68 121.72 1def s LEU 120 Ca 0.15 -0.61 -0.18 0.00 -1.03 0.00 0.00 54.13 52.46 1def s LEU 120 Cb -0.17 0.27 -0.07 0.00 0.03 0.00 0.00 46.19 46.25 1def s LEU 120 CO -0.09 -0.42 0.59 -1.83 0.23 0.00 0.00 176.35 174.82 1def s GLU 121 N -2.30 4.17 -0.08 1.70 4.04 -1.26 -0.76 118.70 124.21 1def s GLU 121 Ca -0.08 0.71 0.00 0.00 0.04 0.00 0.00 54.97 55.64 1def s GLU 121 Cb -0.04 -3.13 0.02 0.00 0.02 0.00 0.00 34.13 31.00 1def s GLU 121 CO -0.04 0.58 -0.06 0.00 -1.84 0.00 0.00 175.26 173.90 1def s ALA 122 N -1.23 1.06 0.41 -0.84 0.00 0.29 -4.92 121.76 116.53 1def s ALA 122 Ca 0.33 -0.35 0.05 0.00 0.00 0.00 0.00 51.96 51.99 1def s ALA 122 Cb -0.18 -0.73 -0.02 0.00 0.00 0.00 0.00 23.12 22.19 1def s ALA 122 CO 0.19 -0.27 0.18 -0.40 0.00 0.00 0.00 175.76 175.47 1def n ASP 123 N 4.65 0.80 0.00 0.00 5.68 -1.26 -0.15 116.55 126.26 1def n ASP 123 Ca -0.15 -3.26 0.00 0.00 -0.50 0.00 0.00 54.79 50.88 1def n ASP 123 Cb 0.50 1.22 0.00 0.00 -1.14 0.00 0.00 41.12 41.70 1def n ASP 123 CO 0.00 0.00 0.00 0.61 -1.33 0.00 0.00 177.20 176.48 1def n GLY 124 N -0.88 0.94 0.34 6.12 0.00 -1.18 -3.94 105.19 106.59 1def n GLY 124 Ca -0.03 -1.86 0.18 0.00 0.00 0.00 0.00 46.02 44.31 1def n GLY 124 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 173.32 174.73 1def h LEU 125 N 0.00 0.00 0.00 0.99 3.38 -1.98 -2.58 115.31 115.12 1def h LEU 125 Ca 0.00 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.96 1def h LEU 125 Cb 0.00 0.00 -0.00 0.00 0.09 0.00 0.00 40.66 40.75 1def h LEU 125 CO 0.00 0.00 -0.37 -0.07 0.09 0.00 0.00 178.44 178.09 1def h LEU 126 N 0.00 0.00 -0.86 1.67 3.38 -1.94 0.52 115.31 118.08 1def h LEU 126 Ca 0.04 -0.04 0.27 0.00 0.09 0.00 0.00 57.88 58.23 1def h LEU 126 Cb 0.55 0.00 -0.16 0.00 0.09 0.00 0.00 40.66 41.14 1def h LEU 126 CO -0.00 0.71 0.12 0.00 0.09 0.00 0.00 178.44 179.36 1def n ALA 127 N -3.34 0.54 0.05 1.53 0.00 -1.13 0.15 120.51 118.31 1def n ALA 127 Ca -0.06 0.92 -0.17 0.00 0.00 0.00 0.00 53.44 54.12 1def n ALA 127 Cb 0.20 -0.72 -0.14 0.00 0.00 0.00 0.00 19.45 18.79 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 1.03 0.15 0.00 5.03 -1.59 -1.71 117.51 120.43 1def h ILE 128 Ca 0.57 -2.70 0.00 0.00 -0.12 0.00 0.00 64.86 62.62 1def h ILE 128 Cb 1.28 2.70 -0.02 0.00 -3.03 0.00 0.00 36.82 37.74 1def h ILE 128 CO -0.78 0.80 -0.30 0.00 -0.68 0.00 0.00 178.15 177.19 1def h ILE 130 N -0.49 1.03 -0.62 0.00 1.08 -0.27 0.29 117.51 118.52 1def h ILE 130 Ca -0.02 -0.12 0.00 0.00 -0.39 0.00 0.00 64.86 64.34 1def h ILE 130 Cb 0.46 0.66 0.00 0.00 -3.07 0.00 0.00 36.82 34.87 1def h ILE 130 CO -0.12 0.06 0.00 0.00 -0.69 0.00 0.00 178.15 177.41 1def n GLN 131 N -4.49 3.72 -0.09 2.37 10.64 -0.64 -2.28 117.38 126.61 1def n GLN 131 Ca 0.02 -2.77 -0.13 0.00 -1.83 0.00 0.00 57.00 52.29 1def n GLN 131 Cb 0.14 -1.91 -0.05 0.00 -0.86 0.00 0.00 30.24 27.56 1def n GLN 131 CO 0.00 0.00 0.00 1.58 -1.83 0.00 0.00 177.06 176.81 1def n HIS 132 N 1.06 0.60 -0.34 2.61 -0.00 0.60 -1.09 115.22 118.65 1def n HIS 132 Ca 0.25 0.26 -0.03 0.00 0.46 0.00 0.00 57.72 58.66 1def n HIS 132 Cb 0.89 -0.81 0.01 0.00 -0.12 0.00 0.00 29.99 29.95 1def n HIS 132 CO 0.00 0.00 0.00 0.39 0.46 0.00 0.00 176.34 177.19 1def n GLU 133 N -4.49 -0.25 -0.06 1.57 -0.58 0.70 0.35 120.64 117.89 1def n GLU 133 Ca -0.21 1.35 -0.14 0.00 -0.42 0.00 0.00 57.16 57.74 1def n GLU 133 Cb 0.50 -1.99 -0.06 0.00 -0.57 0.00 0.00 31.44 29.31 1def n GLU 133 CO 0.00 0.00 0.00 0.00 -0.48 0.00 0.00 177.13 176.65 1def h MET 134 N 0.00 0.54 -0.21 3.49 -0.00 -1.54 -2.40 114.93 114.80 1def h MET 134 Ca 0.27 -0.33 0.00 0.00 -0.00 0.00 0.00 59.70 59.64 1def h MET 134 Cb 0.49 0.03 0.00 0.00 -0.00 0.00 0.00 31.60 32.12 1def h MET 134 CO -0.86 0.94 0.00 -0.25 -0.00 0.00 0.00 176.91 176.73 1def n ASP 135 N -4.34 0.21 -0.01 -0.10 9.92 0.67 0.15 116.55 123.05 1def n ASP 135 Ca -0.06 -1.51 -0.21 0.00 -0.53 0.00 0.00 54.79 52.48 1def n ASP 135 Cb 0.48 -0.11 -0.14 0.00 -0.64 0.00 0.00 41.12 40.72 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 -0.32 1.10 -0.05 1.24 8.25 1.10 -2.72 115.22 123.81 1def n HIS 136 Ca 0.00 0.23 -0.05 0.00 -0.26 0.00 0.00 57.72 57.65 1def n HIS 136 Cb 0.05 -1.14 -0.02 0.00 1.12 0.00 0.00 29.99 30.00 1def n HIS 136 CO 0.00 0.00 0.00 1.28 0.64 0.00 0.00 176.34 178.26 1def n LEU 137 N -3.46 1.14 0.16 2.41 4.32 0.12 -3.58 117.00 118.10 1def n LEU 137 Ca -0.34 0.28 0.12 0.00 -0.02 0.00 0.00 56.01 56.05 1def n LEU 137 Cb 1.04 -0.67 0.57 0.00 -1.62 0.00 0.00 43.42 42.74 1def n LEU 137 CO 0.41 -0.40 0.85 -0.37 -1.22 0.00 0.00 177.39 176.66 1def h VAL 138 N -0.60 0.00 0.00 4.08 -1.51 -0.56 -3.08 116.25 114.58 1def h VAL 138 Ca 0.00 -0.11 -0.11 0.00 -1.23 0.00 0.00 66.70 65.25 1def h VAL 138 Cb 0.51 0.72 -0.21 0.00 -2.13 0.00 0.00 31.29 30.18 1def h VAL 138 CO 0.00 0.00 -0.66 0.61 -1.23 0.00 0.00 177.57 176.29 1def n GLY 139 N -0.73 0.78 3.54 5.19 0.00 -1.24 -4.98 105.19 107.75 1def n GLY 139 Ca 0.00 -0.40 -0.29 0.00 0.00 0.00 0.00 46.02 45.33 1def n GLY 139 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1def s LYS 140 N 0.00 -1.03 -0.09 1.61 -2.85 -1.10 -4.77 119.74 111.51 1def s LYS 140 Ca 0.16 0.30 0.01 0.00 -1.00 0.00 0.00 55.97 55.44 1def s LYS 140 Cb 0.18 -1.59 -0.06 0.00 -2.06 0.00 0.00 37.83 34.31 1def s LYS 140 CO -0.08 -3.66 -0.07 1.28 0.10 0.00 0.00 175.35 172.91 1def n LEU 141 N -4.79 2.92 -2.95 2.77 7.99 -1.26 -4.99 117.00 116.69 1def n LEU 141 Ca 0.08 -0.05 -0.03 0.00 -0.01 0.00 0.00 56.01 56.00 1def n LEU 141 Cb 0.58 -0.29 -0.01 0.00 -0.11 0.00 0.00 43.42 43.59 1def n LEU 141 CO 0.51 0.64 -0.04 0.49 -1.51 0.00 0.00 177.39 177.48 1def n PHE 142 N -2.74 -0.12 0.00 -1.77 3.01 -1.26 -4.69 117.46 109.89 1def n PHE 142 Ca -0.15 0.04 0.00 0.00 1.01 0.00 0.00 57.45 58.35 1def n PHE 142 Cb 0.67 -0.26 0.00 0.00 -0.01 0.00 0.00 39.48 39.87 1def n PHE 142 CO 0.00 0.00 0.00 -0.12 1.01 0.00 0.00 176.76 177.65 1def n MET 143 N -1.34 0.00 -1.29 -1.08 1.56 -1.26 -4.77 117.12 108.95 1def n MET 143 Ca -0.03 0.00 -0.28 0.00 -0.27 0.00 0.00 57.70 57.13 1def n MET 143 Cb 0.06 0.00 0.03 0.00 2.15 0.00 0.00 33.22 35.46 1def n MET 143 CO 0.00 0.00 0.00 -0.25 -0.73 0.00 0.00 175.97 174.99 1def n ASP 144 N 0.00 7.01 -4.04 6.12 9.92 -1.26 -4.66 116.55 129.63 1def n ASP 144 Ca 0.00 -3.43 -0.41 0.00 -0.53 0.00 0.00 54.79 50.42 1def n ASP 144 Cb 0.00 -1.07 -0.01 0.00 -0.64 0.00 0.00 41.12 39.40 1def n ASP 144 CO 0.00 0.00 0.00 -1.22 0.13 0.00 0.00 177.20 176.11 1def n TYR 145 N -0.06 3.31 -0.05 1.24 4.02 -1.26 -4.50 117.16 119.86 1def n TYR 145 Ca 0.47 -3.19 -0.06 0.00 -0.01 0.00 0.00 57.90 55.11 1def n TYR 145 Cb 0.55 -1.29 -0.06 0.00 -0.02 0.00 0.00 39.34 38.52 1def n TYR 145 CO 0.00 0.00 0.00 -0.11 -1.01 0.00 0.00 176.86 175.74 1def n LEU 146 N 1.69 1.64 -0.21 7.72 7.94 -1.03 -4.20 117.00 130.56 1def n LEU 146 Ca 0.25 -0.03 0.03 0.00 -1.11 0.00 0.00 56.01 55.15 1def n LEU 146 Cb 0.36 -0.11 0.02 0.00 0.53 0.00 0.00 43.42 44.22 1def n LEU 146 CO 0.60 0.47 0.33 -1.54 -1.11 0.00 0.00 177.39 176.14