#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1rai s THR 2 N 0.00 -0.30 0.00 3.17 -1.32 -1.26 -5.00 115.64 110.93 1rai s THR 2 Ca 0.00 0.00 0.00 0.00 -1.21 0.00 0.00 61.69 60.48 1rai s THR 2 Cb 0.00 -1.00 0.00 0.00 -1.51 0.00 0.00 72.50 69.99 1rai s THR 2 CO 0.00 0.00 0.00 0.00 -2.21 0.00 0.00 174.62 172.41 1rai n HIS 3 N 4.46 0.00 0.00 9.09 -0.00 -1.26 -4.18 115.22 123.33 1rai n HIS 3 Ca -0.16 0.00 0.00 0.00 -0.00 0.00 0.00 57.72 57.56 1rai n HIS 3 Cb 0.55 0.00 0.00 0.00 -0.00 0.00 0.00 29.99 30.54 1rai n HIS 3 CO 0.00 0.00 0.00 -0.25 -0.00 0.00 0.00 176.34 176.09 1rai n ASP 4 N 0.00 0.00 -0.65 4.39 9.92 -1.26 -4.62 116.55 124.32 1rai n ASP 4 Ca 0.00 0.38 0.07 0.00 -0.53 0.00 0.00 54.79 54.71 1rai n ASP 4 Cb 0.00 0.00 -0.04 0.00 -0.64 0.00 0.00 41.12 40.44 1rai n ASP 4 CO 0.00 0.00 0.00 -0.46 0.13 0.00 0.00 177.20 176.87 1rai n ASN 5 N -0.71 -3.55 -0.83 -2.24 0.23 -1.26 -2.55 115.26 104.35 1rai n ASN 5 Ca 0.00 0.68 0.12 0.00 -0.53 0.00 0.00 54.58 54.86 1rai n ASN 5 Cb 0.00 -2.17 0.17 0.00 -2.08 0.00 0.00 39.78 35.70 1rai n ASN 5 CO 0.00 0.00 0.00 2.29 -0.93 0.00 0.00 177.26 178.62 1rai n LYS 6 N -2.92 2.10 0.04 -3.83 2.85 -1.26 -2.76 118.16 112.38 1rai n LYS 6 Ca -0.04 -1.66 0.13 0.00 -1.05 0.00 0.00 58.31 55.69 1rai n LYS 6 Cb 0.30 -1.47 0.32 0.00 -0.65 0.00 0.00 35.03 33.53 1rai n LYS 6 CO 0.00 0.00 0.00 1.28 -0.05 0.00 0.00 177.40 178.63 1rai n LEU 7 N 1.00 0.54 -2.86 -5.58 4.32 -1.26 -4.50 117.00 108.66 1rai n LEU 7 Ca 0.14 0.29 0.03 0.00 -0.02 0.00 0.00 56.01 56.45 1rai n LEU 7 Cb 0.54 -0.28 0.00 0.00 -1.62 0.00 0.00 43.42 42.06 1rai n LEU 7 CO 0.16 -0.03 0.48 0.00 -1.22 0.00 0.00 177.39 176.79 1rai s GLN 8 N -3.08 0.17 0.85 3.23 1.03 -1.26 -4.22 119.66 116.38 1rai s GLN 8 Ca 0.10 -0.02 -0.10 0.00 0.04 0.00 0.00 55.36 55.38 1rai s GLN 8 Cb 0.15 0.03 0.11 0.00 0.03 0.00 0.00 33.01 33.33 1rai s GLN 8 CO 0.66 -0.26 1.11 0.08 -2.54 0.00 0.00 175.29 174.34 1rai s VAL 9 N 2.19 2.72 0.30 3.63 1.01 -1.11 -4.61 120.40 124.53 1rai s VAL 9 Ca 0.18 0.23 0.09 0.00 0.00 0.00 0.00 61.98 62.47 1rai s VAL 9 Cb 0.02 -2.51 -0.06 0.00 0.00 0.00 0.00 36.38 33.83 1rai s VAL 9 CO -0.17 -0.30 -0.10 -1.61 0.00 0.00 0.00 175.10 172.92 1rai s GLU 10 N -4.79 1.65 0.00 2.72 2.02 -1.06 -4.92 118.70 114.33 1rai s GLU 10 Ca 0.64 -1.83 0.00 0.00 0.02 0.00 0.00 54.97 53.80 1rai s GLU 10 Cb -0.20 -1.45 0.00 0.00 0.10 0.00 0.00 34.13 32.58 1rai s GLU 10 CO 0.57 0.13 0.00 0.00 0.02 0.00 0.00 175.26 175.98 1rai n ALA 11 N -0.65 -0.48 -2.82 5.21 0.00 -1.26 -4.62 120.51 115.88 1rai n ALA 11 Ca -0.05 0.00 -0.31 0.00 0.00 0.00 0.00 53.44 53.07 1rai n ALA 11 Cb 0.63 0.00 -0.04 0.00 0.00 0.00 0.00 19.45 20.03 1rai n ALA 11 CO 0.00 0.00 0.00 0.96 0.00 0.00 0.00 177.50 178.46 1rai s ILE 12 N 0.00 5.30 -0.22 0.00 -4.36 -1.26 -4.04 121.20 116.62 1rai s ILE 12 Ca 0.00 -0.21 -0.07 0.00 -0.26 0.00 0.00 60.65 60.11 1rai s ILE 12 Cb 0.00 -3.62 -0.03 0.00 1.25 0.00 0.00 42.46 40.05 1rai s ILE 12 CO 0.00 0.11 0.07 -1.59 0.24 0.00 0.00 174.94 173.77 1rai s LYS 13 N -2.54 3.78 0.14 0.37 -2.85 -1.26 -4.43 119.74 112.96 1rai s LYS 13 Ca 0.37 -0.42 0.00 0.00 -1.00 0.00 0.00 55.97 54.92 1rai s LYS 13 Cb -0.13 -3.28 0.00 0.00 -2.06 0.00 0.00 37.83 32.36 1rai s LYS 13 CO 0.26 -0.00 0.00 -2.13 0.10 0.00 0.00 175.35 173.58 1rai n ARG 14 N 4.36 -2.86 -0.09 1.78 0.00 -1.25 -4.57 116.66 114.04 1rai n ARG 14 Ca -0.16 2.19 0.00 0.00 -0.00 0.00 0.00 57.85 59.88 1rai n ARG 14 Cb 0.52 -2.21 0.00 0.00 0.00 0.00 0.00 32.46 30.77 1rai n ARG 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.63 178.04 1rai n GLY 15 N 0.66 0.95 3.47 5.14 0.00 -0.19 -0.84 105.19 114.37 1rai n GLY 15 Ca 0.00 -1.89 -0.31 0.00 0.00 0.00 0.00 46.02 43.82 1rai n GLY 15 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 173.32 171.73 1rai s THR 16 N -2.14 2.88 -0.12 2.61 2.01 0.51 -0.94 115.64 120.44 1rai s THR 16 Ca 0.00 -1.09 -0.00 0.00 0.31 0.00 0.00 61.69 60.90 1rai s THR 16 Cb 0.00 -2.20 0.02 0.00 0.01 0.00 0.00 72.50 70.33 1rai s THR 16 CO 0.00 0.38 -0.10 -0.69 -0.69 0.00 0.00 174.62 173.52 1rai s VAL 17 N -0.90 1.21 -0.38 3.82 1.01 -0.62 -0.78 120.40 123.75 1rai s VAL 17 Ca 0.14 -0.40 -0.13 0.00 0.00 0.00 0.00 61.98 61.60 1rai s VAL 17 Cb -0.11 -1.19 0.02 0.00 0.00 0.00 0.00 36.38 35.10 1rai s VAL 17 CO 0.05 0.40 0.24 -0.63 0.00 0.00 0.00 175.10 175.16 1rai s ILE 18 N 1.63 4.94 0.36 2.22 1.01 -0.51 -1.07 121.20 129.78 1rai s ILE 18 Ca 0.05 -0.66 0.09 0.00 0.00 0.00 0.00 60.65 60.12 1rai s ILE 18 Cb -0.13 -3.71 -0.06 0.00 0.01 0.00 0.00 42.46 38.58 1rai s ILE 18 CO -0.09 -0.21 0.03 -0.62 0.00 0.00 0.00 174.94 174.05 1rai s ASP 19 N 1.63 4.16 -1.13 3.58 2.15 -0.39 -2.04 116.67 124.63 1rai s ASP 19 Ca 0.04 -1.05 -0.06 0.00 0.43 0.00 0.00 52.55 51.90 1rai s ASP 19 Cb -0.19 -0.50 0.01 0.00 -0.30 0.00 0.00 42.92 41.94 1rai s ASP 19 CO 0.08 -0.30 0.98 1.41 -0.17 0.00 0.00 175.17 177.17 1rai n HIS 20 N -0.99 -2.35 -2.83 -5.34 8.25 -1.25 -0.89 115.22 109.82 1rai n HIS 20 Ca -0.04 0.85 -0.41 0.00 -0.26 0.00 0.00 57.72 57.86 1rai n HIS 20 Cb 0.63 -4.47 -0.04 0.00 1.12 0.00 0.00 29.99 27.23 1rai n HIS 20 CO 0.00 0.00 0.00 0.42 0.64 0.00 0.00 176.34 177.40 1rai s ILE 21 N -3.28 4.93 0.76 1.59 1.01 -1.18 -3.38 121.20 121.65 1rai s ILE 21 Ca 0.40 1.83 -0.15 0.00 0.00 0.00 0.00 60.65 62.73 1rai s ILE 21 Cb -0.18 -4.21 0.01 0.00 0.01 0.00 0.00 42.46 38.09 1rai s ILE 21 CO 0.62 0.18 0.83 -2.65 0.00 0.00 0.00 174.94 173.93 1rai n PRO 22 N 3.94 0.31 -1.72 2.79 -0.02 -1.26 -1.13 135.00 137.92 1rai n PRO 22 Ca 0.03 0.16 -0.41 0.00 -2.02 0.00 0.00 63.50 61.27 1rai n PRO 22 Cb 0.51 -2.12 0.01 0.00 -0.02 0.00 0.00 33.50 31.88 1rai n PRO 22 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1rai n ALA 23 N -2.72 1.50 -0.79 3.55 0.00 -1.26 -2.34 120.51 118.45 1rai n ALA 23 Ca 0.12 0.29 0.00 0.00 0.00 0.00 0.00 53.44 53.84 1rai n ALA 23 Cb 0.50 -2.30 0.00 0.00 0.00 0.00 0.00 19.45 17.65 1rai n ALA 23 CO 0.00 0.00 0.00 1.04 0.00 0.00 0.00 177.50 178.54 1rai n GLN 24 N 0.14 -0.51 0.01 0.00 1.13 -1.26 -4.81 117.38 112.08 1rai n GLN 24 Ca 0.06 0.13 -0.04 0.00 -1.94 0.00 0.00 57.00 55.21 1rai n GLN 24 Cb 0.39 -4.05 -0.10 0.00 0.11 0.00 0.00 30.24 26.59 1rai n GLN 24 CO 0.00 0.00 0.00 0.82 -1.44 0.00 0.00 177.06 176.44 1rai h ILE 25 N 0.00 0.67 -0.22 5.09 1.08 -1.82 -3.39 117.51 118.92 1rai h ILE 25 Ca 0.00 -2.31 0.06 0.00 -0.39 0.00 0.00 64.86 62.21 1rai h ILE 25 Cb 0.26 2.21 -0.06 0.00 -3.07 0.00 0.00 36.82 36.16 1rai h ILE 25 CO 0.00 0.38 -0.19 1.23 -0.69 0.00 0.00 178.15 178.88 1rai h GLY 26 N 3.61 -0.08 0.97 5.37 0.00 -1.88 -0.11 103.07 110.96 1rai h GLY 26 Ca -0.21 0.24 -0.01 0.00 0.00 0.00 0.00 47.33 47.36 1rai h GLY 26 CO 0.06 -0.18 0.22 -2.75 0.00 0.00 0.00 176.54 173.90 1rai h PHE 27 N -0.20 0.55 -0.65 5.60 3.57 -1.97 -0.97 116.94 122.87 1rai h PHE 27 Ca 0.13 -0.01 0.13 0.00 3.53 0.00 0.00 57.97 61.74 1rai h PHE 27 Cb 0.39 -0.18 -0.12 0.00 2.79 0.00 0.00 35.95 38.83 1rai h PHE 27 CO -0.34 0.42 -0.23 -0.22 -2.23 0.00 0.00 178.31 175.70 1rai h LYS 28 N 0.52 -0.06 -0.58 1.11 3.64 -1.60 0.32 116.57 119.91 1rai h LYS 28 Ca 0.14 0.00 -0.08 0.00 -1.27 0.00 0.00 60.65 59.44 1rai h LYS 28 Cb 0.05 0.01 -0.02 0.00 -0.41 0.00 0.00 32.23 31.86 1rai h LYS 28 CO -0.02 -0.04 0.04 -0.07 -2.27 0.00 0.00 179.45 177.09 1rai h LEU 29 N -0.06 0.97 -0.23 5.20 3.38 -0.78 0.15 115.31 123.94 1rai h LEU 29 Ca 0.30 -0.29 0.00 0.00 0.09 0.00 0.00 57.88 57.98 1rai h LEU 29 Cb 0.52 -0.26 -0.01 0.00 0.09 0.00 0.00 40.66 41.00 1rai h LEU 29 CO -0.70 1.02 0.14 -0.07 0.09 0.00 0.00 178.44 178.92 1rai h LEU 30 N 0.89 0.24 -0.05 1.67 -0.00 0.20 -1.92 115.31 116.34 1rai h LEU 30 Ca 0.17 -0.00 -0.12 0.00 -0.00 0.00 0.00 57.88 57.93 1rai h LEU 30 Cb 0.49 -0.06 0.01 0.00 -0.00 0.00 0.00 40.66 41.10 1rai h LEU 30 CO 0.02 0.18 -0.42 0.77 -0.00 0.00 0.00 178.44 178.99 1rai h SER 31 N 0.29 0.46 -0.68 -0.43 4.64 -0.65 -2.59 113.55 114.59 1rai h SER 31 Ca 0.08 -0.68 -0.06 0.00 -0.47 0.00 0.00 61.79 60.66 1rai h SER 31 Cb -0.02 -0.14 -0.03 0.00 -0.31 0.00 0.00 62.40 61.90 1rai h SER 31 CO -0.03 1.08 0.22 -0.07 -0.87 0.00 0.00 176.83 177.16 1rai h LEU 32 N -0.11 1.01 -3.65 5.97 4.07 -0.72 -2.94 115.31 118.93 1rai h LEU 32 Ca -0.04 -0.18 -0.25 0.00 0.08 0.00 0.00 57.88 57.49 1rai h LEU 32 Cb 1.09 -0.26 -0.15 0.00 1.08 0.00 0.00 40.66 42.42 1rai h LEU 32 CO 0.09 0.94 0.25 0.49 -1.08 0.00 0.00 178.44 179.12 1rai n PHE 33 N -4.26 2.12 -3.65 1.13 3.72 -0.72 -4.93 117.46 110.87 1rai n PHE 33 Ca 0.06 -1.38 -0.28 0.00 -0.05 0.00 0.00 57.45 55.79 1rai n PHE 33 Cb 0.22 -0.66 -0.06 0.00 -0.94 0.00 0.00 39.48 38.05 1rai n PHE 33 CO 0.00 0.00 0.00 1.63 -0.05 0.00 0.00 176.76 178.34 1rai n LYS 34 N -0.62 -0.83 0.31 -1.08 4.76 -1.11 -4.80 118.16 114.80 1rai n LYS 34 Ca 0.41 0.09 0.20 0.00 -2.87 0.00 0.00 58.31 56.14 1rai n LYS 34 Cb 1.32 -3.13 1.01 0.00 -1.84 0.00 0.00 35.03 32.38 1rai n LYS 34 CO 0.00 0.00 0.00 -0.07 -1.37 0.00 0.00 177.40 175.96 1rai h LEU 35 N -0.67 0.00 0.00 -0.35 3.38 -1.70 -3.00 115.31 112.97 1rai h LEU 35 Ca -0.43 0.00 0.00 0.00 0.09 0.00 0.00 57.88 57.54 1rai h LEU 35 Cb 0.97 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.72 1rai h LEU 35 CO 0.60 0.01 -0.07 0.35 0.09 0.00 0.00 178.44 179.42 1rai n THR 36 N -3.17 0.58 -2.33 0.22 -2.24 -1.26 -4.48 114.28 101.60 1rai n THR 36 Ca -0.02 -0.29 -0.43 0.00 -2.27 0.00 0.00 64.05 61.05 1rai n THR 36 Cb 0.16 -0.54 0.00 0.00 -2.10 0.00 0.00 70.33 67.85 1rai n THR 36 CO 0.00 0.00 0.00 -0.62 -0.57 0.00 0.00 175.07 173.88 1rai n GLU 37 N -2.26 3.55 -3.65 -0.78 1.02 -1.14 -4.81 120.64 112.58 1rai n GLU 37 Ca 0.05 -3.48 -0.10 0.00 -0.02 0.00 0.00 57.16 53.61 1rai n GLU 37 Cb 0.43 -2.96 -0.04 0.00 -0.02 0.00 0.00 31.44 28.85 1rai n GLU 37 CO 0.00 0.00 0.00 -0.08 1.18 0.00 0.00 177.13 178.23 1rai s THR 38 N 0.67 0.06 -2.81 2.62 -1.32 -1.26 -5.04 115.64 108.57 1rai s THR 38 Ca 0.40 -0.60 0.25 0.00 -1.21 0.00 0.00 61.69 60.53 1rai s THR 38 Cb 0.09 -1.22 0.25 0.00 -1.51 0.00 0.00 72.50 70.11 1rai s THR 38 CO -0.00 -0.29 1.35 0.47 -2.21 0.00 0.00 174.62 173.93 1rai n ASP 39 N -0.24 2.61 -4.78 8.08 8.00 -1.26 -4.98 116.55 123.97 1rai n ASP 39 Ca -0.15 -1.85 -0.31 0.00 0.71 0.00 0.00 54.79 53.19 1rai n ASP 39 Cb 0.64 0.04 0.08 0.00 -0.02 0.00 0.00 41.12 41.86 1rai n ASP 39 CO 0.00 0.00 0.00 -1.10 -0.39 0.00 0.00 177.20 175.71 1rai s GLN 40 N -2.05 2.29 -0.25 -1.24 1.11 -1.26 -4.96 119.66 113.31 1rai s GLN 40 Ca 0.29 0.94 -0.26 0.00 0.01 0.00 0.00 55.36 56.35 1rai s GLN 40 Cb 0.20 -1.92 0.00 0.00 -1.01 0.00 0.00 33.01 30.28 1rai s GLN 40 CO 0.33 -1.55 0.89 1.03 0.01 0.00 0.00 175.29 176.00 1rai s ARG 41 N -5.00 4.18 -0.08 2.91 0.52 -1.26 -4.93 118.95 115.29 1rai s ARG 41 Ca 0.60 1.03 -0.03 0.00 -0.52 0.00 0.00 55.73 56.81 1rai s ARG 41 Cb -0.16 -3.65 -0.04 0.00 0.52 0.00 0.00 34.95 31.62 1rai s ARG 41 CO 0.55 -0.58 0.05 0.42 0.02 0.00 0.00 175.30 175.77 1rai s ILE 42 N 2.98 4.65 -0.02 1.52 1.01 -1.26 -2.12 121.20 127.96 1rai s ILE 42 Ca 0.37 -0.18 0.07 0.00 0.00 0.00 0.00 60.65 60.91 1rai s ILE 42 Cb -0.15 -3.01 -0.02 0.00 0.01 0.00 0.00 42.46 39.30 1rai s ILE 42 CO 0.08 0.56 -0.22 -0.89 0.00 0.00 0.00 174.94 174.47 1rai s THR 43 N -0.97 1.71 -0.01 2.92 2.01 0.23 -4.98 115.64 116.56 1rai s THR 43 Ca 0.15 -0.93 0.01 0.00 0.31 0.00 0.00 61.69 61.24 1rai s THR 43 Cb -0.12 -1.42 0.00 0.00 0.01 0.00 0.00 72.50 70.97 1rai s THR 43 CO 0.05 0.48 -0.04 -0.63 -0.69 0.00 0.00 174.62 173.79 1rai s ILE 44 N -0.51 0.35 -0.15 1.82 1.01 -1.26 0.47 121.20 122.93 1rai s ILE 44 Ca 0.08 -0.16 0.02 0.00 0.00 0.00 0.00 60.65 60.60 1rai s ILE 44 Cb -0.08 -0.32 0.01 0.00 0.01 0.00 0.00 42.46 42.08 1rai s ILE 44 CO -0.01 0.11 -0.21 -0.83 0.00 0.00 0.00 174.94 174.01 1rai s GLY 45 N 0.08 1.33 -0.06 6.18 0.00 -0.39 -5.01 107.32 109.45 1rai s GLY 45 Ca -0.00 -1.08 0.04 0.00 0.00 0.00 0.00 44.72 43.68 1rai s GLY 45 CO -0.00 0.08 -0.16 1.08 0.00 0.00 0.00 173.10 174.10 1rai s LEU 46 N 0.95 2.61 -0.71 0.66 1.02 -1.26 -1.56 118.68 120.40 1rai s LEU 46 Ca -0.04 -0.26 -0.03 0.00 0.02 0.00 0.00 54.13 53.81 1rai s LEU 46 Cb -0.15 -1.53 0.00 0.00 0.02 0.00 0.00 46.19 44.54 1rai s LEU 46 CO -0.04 0.31 0.67 0.59 0.02 0.00 0.00 176.35 177.89 1rai n ASN 47 N 2.52 -7.13 -4.88 2.29 3.02 -0.79 -5.00 115.26 105.31 1rai n ASN 47 Ca -0.17 -0.19 -0.21 0.00 -0.03 0.00 0.00 54.58 53.98 1rai n ASN 47 Cb 0.52 -4.43 -0.03 0.00 -0.61 0.00 0.00 39.78 35.23 1rai n ASN 47 CO 0.00 0.00 0.00 -0.76 -2.62 0.00 0.00 177.26 173.88 1rai s LEU 48 N -3.97 3.74 -0.15 3.41 1.43 0.39 -4.83 118.68 118.70 1rai s LEU 48 Ca 0.05 -0.37 -0.20 0.00 -1.03 0.00 0.00 54.13 52.57 1rai s LEU 48 Cb -0.01 -2.36 -0.03 0.00 0.03 0.00 0.00 46.19 43.81 1rai s LEU 48 CO 0.79 -0.31 0.59 -2.16 0.23 0.00 0.00 176.35 175.49 1rai s PRO 49 N -4.00 4.29 0.01 1.29 0.04 -1.26 -1.50 135.00 133.86 1rai s PRO 49 Ca 0.40 0.59 -0.01 0.00 0.04 0.00 0.00 61.00 62.02 1rai s PRO 49 Cb -0.07 -3.51 0.00 0.00 0.04 0.00 0.00 34.50 30.97 1rai s PRO 49 CO 0.27 -0.05 0.06 0.45 0.04 0.00 0.00 177.00 177.76 1rai n SER 50 N 4.37 -0.09 -1.11 6.66 2.88 0.48 -4.78 113.62 122.02 1rai n SER 50 Ca -0.03 -1.05 -0.15 0.00 -1.33 0.00 0.00 58.87 56.31 1rai n SER 50 Cb 0.51 0.15 -0.02 0.00 -0.75 0.00 0.00 64.21 64.09 1rai n SER 50 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 1rai n GLY 51 N -0.04 -0.05 3.56 0.46 0.00 -1.26 -3.18 105.19 104.68 1rai n GLY 51 Ca -0.00 0.20 -0.16 0.00 0.00 0.00 0.00 46.02 46.05 1rai n GLY 51 CO 0.00 0.00 0.00 -0.54 0.00 0.00 0.00 173.32 172.78 1rai s GLU 52 N 0.10 1.71 0.00 1.61 0.41 -1.26 -4.06 118.70 117.21 1rai s GLU 52 Ca 0.23 0.11 0.00 0.00 -0.41 0.00 0.00 54.97 54.90 1rai s GLU 52 Cb -0.32 -4.89 0.00 0.00 -1.78 0.00 0.00 34.13 27.14 1rai s GLU 52 CO 0.15 -4.46 0.00 -1.33 -0.49 0.00 0.00 175.26 169.12 1rai n MET 53 N 8.68 3.05 0.00 1.61 2.81 -1.26 -5.05 117.12 126.96 1rai n MET 53 Ca 0.45 0.00 0.00 0.00 -1.81 0.00 0.00 57.70 56.34 1rai n MET 53 Cb 0.45 -0.64 0.00 0.00 -0.71 0.00 0.00 33.22 32.32 1rai n MET 53 CO 0.00 0.00 0.00 0.41 1.51 0.00 0.00 175.97 177.89 1rai n GLY 54 N 1.27 2.07 3.07 3.03 0.00 -1.19 -4.86 105.19 108.58 1rai n GLY 54 Ca 0.00 -0.35 -0.25 0.00 0.00 0.00 0.00 46.02 45.42 1rai n GLY 54 CO 0.00 0.00 0.00 -1.60 0.00 0.00 0.00 173.32 171.72 1rai s ARG 55 N 0.00 1.65 0.19 1.61 3.52 -1.25 -0.39 118.95 124.28 1rai s ARG 55 Ca 0.00 -0.50 0.04 0.00 -0.13 0.00 0.00 55.73 55.15 1rai s ARG 55 Cb 0.00 -1.41 -0.02 0.00 -1.56 0.00 0.00 34.95 31.96 1rai s ARG 55 CO 0.00 0.14 0.15 0.36 -0.81 0.00 0.00 175.30 175.14 1rai n LYS 56 N 3.42 0.28 -4.34 5.12 2.85 -0.56 -4.16 118.16 120.76 1rai n LYS 56 Ca -0.20 -1.89 -0.18 0.00 -1.05 0.00 0.00 58.31 54.99 1rai n LYS 56 Cb 0.53 1.50 -0.10 0.00 -0.65 0.00 0.00 35.03 36.31 1rai n LYS 56 CO 0.00 0.00 0.00 -0.51 -0.05 0.00 0.00 177.40 176.84 1rai s ASP 57 N -2.33 2.21 -0.12 -5.58 1.01 -0.28 -0.46 116.67 111.13 1rai s ASP 57 Ca 0.22 -1.12 -0.21 0.00 0.71 0.00 0.00 52.55 52.14 1rai s ASP 57 Cb 0.01 -0.07 0.05 0.00 1.01 0.00 0.00 42.92 43.92 1rai s ASP 57 CO 0.15 -0.36 0.52 -0.22 0.21 0.00 0.00 175.17 175.48 1rai s LEU 58 N -3.31 0.01 -0.04 1.23 0.20 -0.60 -3.12 118.68 113.05 1rai s LEU 58 Ca 0.25 0.75 0.03 0.00 0.69 0.00 0.00 54.13 55.84 1rai s LEU 58 Cb 0.03 1.89 0.01 0.00 -0.43 0.00 0.00 46.19 47.68 1rai s LEU 58 CO 0.07 -0.36 -0.12 -0.63 -0.29 0.00 0.00 176.35 175.02 1rai s ILE 59 N -0.49 1.02 -0.15 6.68 1.01 -0.87 -1.26 121.20 127.14 1rai s ILE 59 Ca -0.06 -0.47 0.00 0.00 0.00 0.00 0.00 60.65 60.12 1rai s ILE 59 Cb -0.03 -0.91 0.03 0.00 0.01 0.00 0.00 42.46 41.55 1rai s ILE 59 CO 0.04 0.31 -0.11 -0.54 0.00 0.00 0.00 174.94 174.64 1rai s LYS 60 N 0.31 1.97 -0.28 2.79 1.02 0.18 -1.42 119.74 124.30 1rai s LYS 60 Ca -0.07 -0.52 0.03 0.00 0.02 0.00 0.00 55.97 55.44 1rai s LYS 60 Cb -0.11 -2.01 0.07 0.00 -0.52 0.00 0.00 37.83 35.26 1rai s LYS 60 CO 0.02 -0.29 -0.04 0.42 -0.92 0.00 0.00 175.35 174.53 1rai s ILE 61 N 1.55 2.07 0.58 2.17 1.01 0.04 -0.60 121.20 128.01 1rai s ILE 61 Ca 0.04 -1.80 -0.17 0.00 0.00 0.00 0.00 60.65 58.72 1rai s ILE 61 Cb -0.13 -2.32 -0.04 0.00 0.01 0.00 0.00 42.46 39.97 1rai s ILE 61 CO -0.09 -0.24 1.06 -1.61 0.00 0.00 0.00 174.94 174.06 1rai s GLU 62 N 1.10 3.36 0.00 2.79 2.02 -0.90 -0.36 118.70 126.71 1rai s GLU 62 Ca -0.02 1.27 0.00 0.00 0.02 0.00 0.00 54.97 56.24 1rai s GLU 62 Cb -0.19 -2.04 0.00 0.00 0.10 0.00 0.00 34.13 32.00 1rai s GLU 62 CO -0.07 -0.78 0.00 0.09 0.02 0.00 0.00 175.26 174.52 1rai n ASN 63 N -1.84 0.00 -4.86 -0.19 5.03 -0.02 -4.68 115.26 108.70 1rai n ASN 63 Ca 0.09 0.00 -0.37 0.00 0.87 0.00 0.00 54.58 55.17 1rai n ASN 63 Cb 0.53 -1.94 -0.06 0.00 -1.02 0.00 0.00 39.78 37.28 1rai n ASN 63 CO 0.00 0.00 0.00 -0.89 -1.83 0.00 0.00 177.26 174.54 1rai s THR 64 N -1.04 5.36 -0.15 3.41 2.01 -1.26 -4.90 115.64 119.07 1rai s THR 64 Ca 0.00 0.15 -0.00 0.00 0.31 0.00 0.00 61.69 62.15 1rai s THR 64 Cb 0.00 -3.33 0.03 0.00 0.01 0.00 0.00 72.50 69.21 1rai s THR 64 CO 0.00 0.62 -0.08 -0.36 -0.69 0.00 0.00 174.62 174.10 1rai s PHE 65 N -1.01 1.78 -0.17 4.92 0.40 -1.26 -3.09 117.98 119.55 1rai s PHE 65 Ca 0.15 -1.03 -0.05 0.00 -0.60 0.00 0.00 56.93 55.40 1rai s PHE 65 Cb -0.12 -1.37 -0.03 0.00 0.51 0.00 0.00 43.02 42.01 1rai s PHE 65 CO 0.04 -0.60 -0.00 -0.48 0.70 0.00 0.00 175.22 174.87 1rai s LEU 66 N 1.61 3.43 0.25 -0.37 0.05 -1.26 -5.09 118.68 117.30 1rai s LEU 66 Ca 0.03 -0.06 -0.13 0.00 0.05 0.00 0.00 54.13 54.02 1rai s LEU 66 Cb -0.14 -1.84 -0.00 0.00 -2.05 0.00 0.00 46.19 42.16 1rai s LEU 66 CO -0.09 0.17 0.49 -0.44 -0.55 0.00 0.00 176.35 175.93 1rai s SER 67 N 0.38 -0.08 0.00 1.48 0.01 -1.26 -4.69 113.70 109.55 1rai s SER 67 Ca -0.02 -0.93 0.00 0.00 1.31 0.00 0.00 55.95 56.31 1rai s SER 67 Cb -0.14 0.60 0.00 0.00 0.21 0.00 0.00 66.02 66.69 1rai s SER 67 CO 0.02 -1.16 0.00 1.21 0.41 0.00 0.00 173.24 173.72 1rai n GLU 68 N -0.39 0.00 0.03 12.44 4.07 -1.26 -1.33 120.64 134.20 1rai n GLU 68 Ca -0.02 0.00 -0.08 0.00 -0.06 0.00 0.00 57.16 57.01 1rai n GLU 68 Cb 0.62 0.00 -0.13 0.00 -0.06 0.00 0.00 31.44 31.87 1rai n GLU 68 CO 0.00 0.00 0.00 -0.44 -0.06 0.00 0.00 177.13 176.63 1rai h ASP 69 N 0.00 0.01 -0.62 4.31 3.32 -1.99 -2.89 116.42 118.56 1rai h ASP 69 Ca 0.00 -0.01 -0.00 0.00 0.02 0.00 0.00 57.03 57.04 1rai h ASP 69 Cb 0.00 -0.00 -0.03 0.00 0.22 0.00 0.00 39.33 39.52 1rai h ASP 69 CO 0.00 1.01 0.37 1.56 -1.72 0.00 0.00 179.24 180.46 1rai h GLN 70 N 0.00 0.85 -0.45 3.56 4.20 -1.56 -1.30 115.11 120.40 1rai h GLN 70 Ca -0.11 -0.08 -0.02 0.00 0.06 0.00 0.00 58.65 58.51 1rai h GLN 70 Cb 1.86 -0.18 -0.02 0.00 0.30 0.00 0.00 27.48 29.44 1rai h GLN 70 CO 0.11 0.61 0.20 0.28 -0.67 0.00 0.00 178.83 179.36 1rai h VAL 71 N 0.84 1.16 0.00 -0.54 2.07 -1.72 -2.39 116.25 115.68 1rai h VAL 71 Ca 0.22 -0.47 -0.08 0.00 0.82 0.00 0.00 66.70 67.19 1rai h VAL 71 Cb -0.02 0.60 -0.01 0.00 -1.52 0.00 0.00 31.29 30.33 1rai h VAL 71 CO -0.04 0.19 -0.38 0.44 0.02 0.00 0.00 177.57 177.80 1rai h ASP 72 N 0.64 0.00 0.52 0.57 3.32 -1.13 -2.45 116.42 117.88 1rai h ASP 72 Ca 0.16 0.00 -0.02 0.00 0.02 0.00 0.00 57.03 57.19 1rai h ASP 72 Cb 0.09 0.00 -0.00 0.00 0.22 0.00 0.00 39.33 39.64 1rai h ASP 72 CO -0.02 0.38 -0.08 -0.61 -1.72 0.00 0.00 179.24 177.19 1rai h GLN 73 N 0.00 0.00 0.00 3.56 5.75 -0.72 -2.07 115.11 121.63 1rai h GLN 73 Ca -0.00 0.00 0.00 0.00 -0.15 0.00 0.00 58.65 58.50 1rai h GLN 73 Cb 1.08 0.00 0.00 0.00 1.07 0.00 0.00 27.48 29.63 1rai h GLN 73 CO 0.05 0.08 0.00 1.28 -2.65 0.00 0.00 178.83 177.59 1rai n LEU 74 N -3.37 0.56 -0.25 -2.39 4.77 -0.92 -4.38 117.00 111.02 1rai n LEU 74 Ca -0.01 0.61 -0.03 0.00 -0.03 0.00 0.00 56.01 56.55 1rai n LEU 74 Cb 0.24 -0.50 0.08 0.00 -2.33 0.00 0.00 43.42 40.92 1rai n LEU 74 CO 0.28 -0.38 1.14 0.00 -1.33 0.00 0.00 177.39 177.10 1rai h ALA 75 N 2.42 0.93 -0.01 -1.18 0.00 -1.50 0.03 119.26 119.94 1rai h ALA 75 Ca 0.00 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 54.89 1rai h ALA 75 Cb 0.45 -0.22 0.00 0.00 0.00 0.00 0.00 17.79 18.03 1rai h ALA 75 CO 0.00 0.20 0.00 1.47 0.00 0.00 0.00 179.25 180.92 1rai n LEU 76 N -4.67 0.10 -0.06 0.00 -0.00 -1.26 -2.96 117.00 108.14 1rai n LEU 76 Ca 0.08 -0.04 -0.08 0.00 -0.00 0.00 0.00 56.01 55.96 1rai n LEU 76 Cb 0.10 -0.01 -0.06 0.00 -0.00 0.00 0.00 43.42 43.45 1rai n LEU 76 CO 0.33 0.02 -0.90 -1.22 -0.00 0.00 0.00 177.39 175.61 1rai n TYR 77 N -0.68 0.00 -3.12 1.47 4.01 -0.90 -4.85 117.16 113.10 1rai n TYR 77 Ca 0.12 0.00 -0.18 0.00 -0.16 0.00 0.00 57.90 57.68 1rai n TYR 77 Cb 0.07 -0.50 -0.02 0.00 -0.31 0.00 0.00 39.34 38.58 1rai n TYR 77 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1rai n ALA 78 N -2.78 1.62 0.28 -0.72 0.00 -0.05 -4.80 120.51 114.06 1rai n ALA 78 Ca -0.22 -3.08 0.18 0.00 0.00 0.00 0.00 53.44 50.32 1rai n ALA 78 Cb 0.76 -0.95 0.78 0.00 0.00 0.00 0.00 19.45 20.04 1rai n ALA 78 CO 0.00 0.00 0.00 -1.00 0.00 0.00 0.00 177.50 176.50 1rai h PRO 79 N 3.29 0.00 -0.34 0.00 0.13 -1.70 -2.57 132.00 130.81 1rai h PRO 79 Ca 0.06 0.00 -0.05 0.00 -0.87 0.00 0.00 66.00 65.14 1rai h PRO 79 Cb 0.97 0.00 -0.03 0.00 0.13 0.00 0.00 31.00 32.07 1rai h PRO 79 CO 0.44 0.03 0.02 1.04 -0.23 0.00 0.00 178.00 179.29 1rai n GLN 80 N -3.15 2.98 -1.98 0.86 6.02 -1.26 -4.36 117.38 116.49 1rai n GLN 80 Ca -0.00 -2.94 -0.28 0.00 -0.01 0.00 0.00 57.00 53.77 1rai n GLN 80 Cb 0.26 -1.91 0.08 0.00 1.02 0.00 0.00 30.24 29.70 1rai n GLN 80 CO 0.00 0.00 0.00 0.00 -1.01 0.00 0.00 177.06 176.05 1rai s ALA 81 N -2.90 2.78 -0.01 -1.58 0.00 -0.97 -4.78 121.76 114.30 1rai s ALA 81 Ca 0.45 -0.72 0.03 0.00 0.00 0.00 0.00 51.96 51.72 1rai s ALA 81 Cb 0.37 -2.87 -0.00 0.00 0.00 0.00 0.00 23.12 20.61 1rai s ALA 81 CO 0.09 -1.58 -0.09 0.99 0.00 0.00 0.00 175.76 175.16 1rai s THR 82 N -3.49 0.76 -0.37 0.00 2.01 -0.07 -4.36 115.64 110.12 1rai s THR 82 Ca 0.61 -0.39 0.01 0.00 0.31 0.00 0.00 61.69 62.24 1rai s THR 82 Cb -0.11 -0.66 0.11 0.00 0.01 0.00 0.00 72.50 71.85 1rai s THR 82 CO 0.48 0.23 0.12 -0.69 -0.69 0.00 0.00 174.62 174.07 1rai s VAL 83 N -0.05 2.72 0.01 3.82 1.01 0.58 -1.26 120.40 127.23 1rai s VAL 83 Ca 0.01 -2.25 -0.19 0.00 0.00 0.00 0.00 61.98 59.56 1rai s VAL 83 Cb -0.06 -2.94 -0.06 0.00 0.00 0.00 0.00 36.38 33.33 1rai s VAL 83 CO -0.00 -0.64 0.53 0.20 0.00 0.00 0.00 175.10 175.19 1rai s ASN 84 N 1.27 6.94 -0.09 3.32 0.01 -0.23 -1.26 114.94 124.91 1rai s ASN 84 Ca 0.10 1.12 0.04 0.00 -0.71 0.00 0.00 52.86 53.40 1rai s ASN 84 Cb -0.21 -2.33 -0.01 0.00 0.41 0.00 0.00 41.25 39.12 1rai s ASN 84 CO -0.06 0.21 -0.21 0.00 -1.51 0.00 0.00 177.10 175.52 1rai s ARG 85 N -0.65 2.97 -0.05 -0.60 1.70 0.48 -1.59 118.95 121.21 1rai s ARG 85 Ca 0.28 -0.83 0.04 0.00 -0.47 0.00 0.00 55.73 54.76 1rai s ARG 85 Cb -0.18 -2.35 -0.02 0.00 -0.57 0.00 0.00 34.95 31.83 1rai s ARG 85 CO 0.16 0.27 -0.18 0.42 -1.08 0.00 0.00 175.30 174.89 1rai s ILE 86 N 0.15 2.72 -0.14 4.99 1.09 -0.12 -1.27 121.20 128.62 1rai s ILE 86 Ca -0.11 -0.84 -0.06 0.00 -1.10 0.00 0.00 60.65 58.53 1rai s ILE 86 Cb -0.16 -2.04 0.06 0.00 -1.06 0.00 0.00 42.46 39.26 1rai s ILE 86 CO 0.06 0.58 0.31 -0.62 -0.10 0.00 0.00 174.94 175.17 1rai s ASP 87 N -0.50 -0.12 -1.24 3.58 2.15 0.07 -1.02 116.67 119.59 1rai s ASP 87 Ca 0.06 0.70 -0.12 0.00 0.43 0.00 0.00 52.55 53.62 1rai s ASP 87 Cb -0.12 0.72 -0.01 0.00 -0.30 0.00 0.00 42.92 43.22 1rai s ASP 87 CO 0.01 -0.20 0.67 -3.20 -0.17 0.00 0.00 175.17 172.28 1rai n ASN 88 N 4.76 -3.24 -0.27 -0.34 2.85 -1.26 -1.06 115.26 116.70 1rai n ASN 88 Ca -0.16 -0.99 -0.03 0.00 -0.11 0.00 0.00 54.58 53.29 1rai n ASN 88 Cb 0.52 -3.39 -0.01 0.00 1.24 0.00 0.00 39.78 38.14 1rai n ASN 88 CO 0.00 0.00 0.00 -1.22 -2.11 0.00 0.00 177.26 173.93 1rai n TYR 89 N -4.25 -0.05 -4.85 1.20 4.01 -1.26 -4.96 117.16 107.00 1rai n TYR 89 Ca -0.19 0.00 -0.33 0.00 -0.16 0.00 0.00 57.90 57.23 1rai n TYR 89 Cb 0.63 -1.87 -0.14 0.00 -0.31 0.00 0.00 39.34 37.66 1rai n TYR 89 CO 0.00 0.00 0.00 -2.00 -0.46 0.00 0.00 176.86 174.40 1rai s GLU 90 N -1.85 2.95 -1.08 -0.72 2.56 -0.23 -5.03 118.70 115.30 1rai s GLU 90 Ca 0.00 -0.70 -0.23 0.00 0.00 0.00 0.00 54.97 54.04 1rai s GLU 90 Cb 0.00 -2.50 -0.03 0.00 2.00 0.00 0.00 34.13 33.60 1rai s GLU 90 CO 0.00 0.41 1.85 0.08 -0.56 0.00 0.00 175.26 177.04 1rai s VAL 91 N -0.17 3.64 -2.01 3.70 1.01 -1.26 -0.75 120.40 124.56 1rai s VAL 91 Ca -0.00 -0.84 0.05 0.00 0.00 0.00 0.00 61.98 61.19 1rai s VAL 91 Cb -0.13 -4.52 0.15 0.00 0.00 0.00 0.00 36.38 31.87 1rai s VAL 91 CO 0.03 -1.24 1.15 0.55 0.00 0.00 0.00 175.10 175.59 1rai n VAL 92 N 7.52 0.14 -3.63 2.92 3.14 -0.40 -4.85 118.33 123.17 1rai n VAL 92 Ca 0.42 -0.14 -0.01 0.00 -2.96 0.00 0.00 64.34 61.65 1rai n VAL 92 Cb 0.47 0.06 -0.06 0.00 -1.06 0.00 0.00 33.84 33.24 1rai n VAL 92 CO 0.00 0.00 0.00 -0.83 -6.46 0.00 0.00 176.83 169.54 1rai s GLY 93 N -1.07 0.18 -0.30 7.55 0.00 -1.05 -4.94 107.32 107.68 1rai s GLY 93 Ca 0.10 3.34 0.02 0.00 0.00 0.00 0.00 44.72 48.18 1rai s GLY 93 CO 0.07 2.68 0.02 0.54 0.00 0.00 0.00 173.10 176.41 1rai s LYS 94 N 1.30 1.37 0.29 2.90 1.02 -1.26 -0.39 119.74 124.98 1rai s LYS 94 Ca -0.08 -1.40 0.08 0.00 0.02 0.00 0.00 55.97 54.58 1rai s LYS 94 Cb -0.03 -2.71 -0.03 0.00 -0.52 0.00 0.00 37.83 34.54 1rai s LYS 94 CO -0.14 -0.84 0.20 -1.12 -0.92 0.00 0.00 175.35 172.54 1rai s SER 95 N 1.23 5.23 0.05 2.83 0.01 -0.39 -4.91 113.70 117.76 1rai s SER 95 Ca 0.05 -0.44 0.04 0.00 1.31 0.00 0.00 55.95 56.90 1rai s SER 95 Cb -0.19 -1.11 -0.02 0.00 0.21 0.00 0.00 66.02 64.91 1rai s SER 95 CO -0.12 -0.18 -0.11 -0.13 0.41 0.00 0.00 173.24 173.11 1rai s ARG 96 N -3.88 0.71 0.42 12.44 0.52 -1.26 -0.31 118.95 127.60 1rai s ARG 96 Ca 0.36 -0.80 -0.23 0.00 -0.52 0.00 0.00 55.73 54.54 1rai s ARG 96 Cb -0.06 -0.63 -0.09 0.00 0.52 0.00 0.00 34.95 34.69 1rai s ARG 96 CO 0.25 0.14 1.05 -2.14 0.02 0.00 0.00 175.30 174.62 1rai s PRO 97 N -1.48 4.06 0.21 3.54 0.02 -1.26 -4.92 135.00 135.17 1rai s PRO 97 Ca -0.04 1.48 0.09 0.00 0.02 0.00 0.00 61.00 62.55 1rai s PRO 97 Cb -0.09 -2.42 -0.05 0.00 0.02 0.00 0.00 34.50 31.97 1rai s PRO 97 CO 0.01 -0.23 -0.17 -1.54 -0.33 0.00 0.00 177.00 174.74 1rai s SER 98 N -1.67 2.85 0.14 2.53 1.04 -1.26 -4.93 113.70 112.40 1rai s SER 98 Ca 0.60 -0.97 -0.32 0.00 0.48 0.00 0.00 55.95 55.75 1rai s SER 98 Cb -0.21 -0.18 -0.11 0.00 0.10 0.00 0.00 66.02 65.62 1rai s SER 98 CO 0.26 -0.08 1.80 0.18 0.98 0.00 0.00 173.24 176.38 1rai n LEU 99 N -0.21 3.96 -4.76 2.42 7.99 -1.26 -4.68 117.00 120.46 1rai n LEU 99 Ca -0.09 1.01 -0.29 0.00 -0.01 0.00 0.00 56.01 56.63 1rai n LEU 99 Cb 0.59 -1.54 0.18 0.00 -0.11 0.00 0.00 43.42 42.54 1rai n LEU 99 CO 0.34 0.15 0.72 -2.16 -1.51 0.00 0.00 177.39 174.93 1rai s PRO 100 N 2.30 0.24 0.00 3.23 0.04 -1.26 -5.00 135.00 134.55 1rai s PRO 100 Ca 0.80 0.01 0.22 0.00 0.04 0.00 0.00 61.00 62.08 1rai s PRO 100 Cb -0.50 -1.76 -0.26 0.00 0.04 0.00 0.00 34.50 32.01 1rai s PRO 100 CO 0.37 -2.75 0.63 -0.85 0.04 0.00 0.00 177.00 174.44 1rai n GLU 101 N -4.10 0.54 -3.84 4.56 0.28 -1.26 -4.60 120.64 112.23 1rai n GLU 101 Ca 0.11 -0.13 -0.12 0.00 -0.16 0.00 0.00 57.16 56.86 1rai n GLU 101 Cb 0.59 -1.55 -0.13 0.00 1.43 0.00 0.00 31.44 31.78 1rai n GLU 101 CO 0.00 0.00 0.00 1.03 -0.16 0.00 0.00 177.13 178.00 1rai s ARG 102 N -3.41 0.16 -0.28 3.44 0.52 -1.26 -2.11 118.95 116.00 1rai s ARG 102 Ca -0.04 0.10 -0.00 0.00 -0.52 0.00 0.00 55.73 55.27 1rai s ARG 102 Cb 0.14 0.07 0.09 0.00 0.52 0.00 0.00 34.95 35.77 1rai s ARG 102 CO 0.88 -0.02 0.05 0.42 0.02 0.00 0.00 175.30 176.65 1rai s ILE 103 N -0.07 1.12 0.44 1.52 1.01 -1.13 -4.96 121.20 119.14 1rai s ILE 103 Ca -0.01 -1.34 -0.04 0.00 0.00 0.00 0.00 60.65 59.25 1rai s ILE 103 Cb -0.01 -1.72 -0.04 0.00 0.01 0.00 0.00 42.46 40.70 1rai s ILE 103 CO 0.00 -0.48 0.73 -1.81 0.00 0.00 0.00 174.94 173.38 1rai s ASP 104 N 1.52 6.29 0.00 3.58 1.11 -1.26 -2.33 116.67 125.59 1rai s ASP 104 Ca 0.05 0.83 0.00 0.00 0.18 0.00 0.00 52.55 53.61 1rai s ASP 104 Cb -0.18 -2.20 0.00 0.00 1.07 0.00 0.00 42.92 41.61 1rai s ASP 104 CO -0.16 -0.49 0.00 0.59 1.18 0.00 0.00 175.17 176.28 1rai n ASN 105 N -2.05 0.00 0.13 0.27 3.02 0.24 -4.60 115.26 112.27 1rai n ASN 105 Ca -0.01 0.00 0.06 0.00 -0.03 0.00 0.00 54.58 54.60 1rai n ASN 105 Cb 0.55 0.00 0.03 0.00 -0.61 0.00 0.00 39.78 39.76 1rai n ASN 105 CO 0.00 0.00 0.00 0.58 -2.62 0.00 0.00 177.26 175.22 1rai h VAL 106 N 0.00 0.44 -1.37 2.41 2.07 -1.85 -3.40 116.25 114.55 1rai h VAL 106 Ca 0.00 -1.68 -0.44 0.00 0.82 0.00 0.00 66.70 65.40 1rai h VAL 106 Cb 0.00 2.09 0.03 0.00 -1.52 0.00 0.00 31.29 31.89 1rai h VAL 106 CO 0.00 0.25 -0.17 -0.76 0.02 0.00 0.00 177.57 176.91 1rai s LEU 107 N -6.09 3.43 -0.05 2.57 1.43 -1.26 -5.10 118.68 113.61 1rai s LEU 107 Ca 0.03 -0.51 0.01 0.00 -1.03 0.00 0.00 54.13 52.62 1rai s LEU 107 Cb 0.07 -2.34 0.02 0.00 0.03 0.00 0.00 46.19 43.98 1rai s LEU 107 CO 0.75 -1.02 -0.03 -0.69 0.23 0.00 0.00 176.35 175.59 1rai s VAL 108 N -2.52 0.48 0.01 -1.59 1.01 -1.26 -4.68 120.40 111.84 1rai s VAL 108 Ca 0.58 -0.06 -0.30 0.00 0.00 0.00 0.00 61.98 62.20 1rai s VAL 108 Cb -0.09 -0.53 -0.07 0.00 0.00 0.00 0.00 36.38 35.69 1rai s VAL 108 CO 0.36 0.22 1.67 0.00 0.00 0.00 0.00 175.10 177.35 1rai n PRO 110 N 6.48 0.11 -2.64 0.00 -0.02 -1.26 -4.63 135.00 133.04 1rai n PRO 110 Ca 0.17 0.41 -0.43 0.00 -2.02 0.00 0.00 63.50 61.63 1rai n PRO 110 Cb 0.42 -1.74 -0.03 0.00 -0.02 0.00 0.00 33.50 32.14 1rai n PRO 110 CO 0.00 0.00 0.00 1.21 1.98 0.00 0.00 175.50 178.69 1rai s ASN 111 N -3.71 6.49 0.01 2.55 2.47 -1.26 -4.88 114.94 116.61 1rai s ASN 111 Ca 0.04 0.16 0.06 0.00 0.42 0.00 0.00 52.86 53.53 1rai s ASN 111 Cb 0.08 -2.53 0.24 0.00 -1.45 0.00 0.00 41.25 37.59 1rai s ASN 111 CO 0.28 -1.35 1.18 -1.54 -3.72 0.00 0.00 177.10 171.95 1rai n SER 112 N 8.05 0.02 -0.96 -4.21 3.41 -1.26 -1.89 113.62 116.78 1rai n SER 112 Ca 0.09 0.51 0.10 0.00 -0.26 0.00 0.00 58.87 59.30 1rai n SER 112 Cb 0.49 -0.51 0.18 0.00 -0.26 0.00 0.00 64.21 64.10 1rai n SER 112 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1rai n ASN 113 N -1.53 3.14 -4.86 4.04 5.15 -1.26 -4.93 115.26 115.00 1rai n ASN 113 Ca 0.01 -1.91 -0.31 0.00 -0.60 0.00 0.00 54.58 51.77 1rai n ASN 113 Cb 0.06 -0.20 -0.03 0.00 -0.53 0.00 0.00 39.78 39.07 1rai n ASN 113 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 1rai h ILE 115 N 1.06 0.00 0.00 0.00 6.09 -1.91 -3.15 117.51 119.59 1rai h ILE 115 Ca -0.47 -0.22 0.00 0.00 -1.37 0.00 0.00 64.86 62.80 1rai h ILE 115 Cb 1.19 1.19 0.00 0.00 0.47 0.00 0.00 36.82 39.67 1rai h ILE 115 CO 0.63 0.00 0.00 0.77 -3.07 0.00 0.00 178.15 176.48 1rai h SER 116 N 0.00 0.00 0.05 2.19 4.64 -1.93 -2.10 113.55 116.39 1rai h SER 116 Ca 0.00 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.32 1rai h SER 116 Cb 0.22 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.32 1rai h SER 116 CO 0.00 0.00 -0.02 0.45 -0.87 0.00 0.00 176.83 176.39 1rai h HIS 117 N 0.00 -0.06 0.00 4.77 3.86 -1.93 -3.25 115.15 118.55 1rai h HIS 117 Ca 0.00 -0.00 0.00 0.00 -1.16 0.00 0.00 60.37 59.21 1rai h HIS 117 Cb 0.23 0.02 0.00 0.00 1.06 0.00 0.00 27.41 28.72 1rai h HIS 117 CO 0.00 0.34 0.00 0.00 0.86 0.00 0.00 177.93 179.13 1rai n ALA 118 N -2.33 2.47 -2.16 2.45 0.00 -0.79 -4.95 120.51 115.20 1rai n ALA 118 Ca -0.08 -0.11 -0.08 0.00 0.00 0.00 0.00 53.44 53.17 1rai n ALA 118 Cb 0.22 -1.30 -0.10 0.00 0.00 0.00 0.00 19.45 18.28 1rai n ALA 118 CO 0.00 0.00 0.00 -1.21 0.00 0.00 0.00 177.50 176.29 1rai s GLU 119 N -2.00 0.68 0.00 0.00 0.41 -1.23 -5.03 118.70 111.53 1rai s GLU 119 Ca 0.27 -1.22 0.00 0.00 -0.41 0.00 0.00 54.97 53.62 1rai s GLU 119 Cb 0.13 0.23 0.00 0.00 -1.78 0.00 0.00 34.13 32.71 1rai s GLU 119 CO 0.21 -0.15 0.00 -0.35 -0.49 0.00 0.00 175.26 174.48 1rai n PRO 120 N 0.06 0.00 -4.35 0.39 -0.04 -1.26 -4.66 135.00 125.14 1rai n PRO 120 Ca -0.13 0.00 -0.26 0.00 -0.04 0.00 0.00 63.50 63.07 1rai n PRO 120 Cb 0.61 -1.30 -0.13 0.00 -0.04 0.00 0.00 33.50 32.65 1rai n PRO 120 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1rai s VAL 121 N 1.60 2.01 0.17 0.52 -7.23 -1.26 -5.14 120.40 111.07 1rai s VAL 121 Ca 0.00 -1.71 0.04 0.00 -1.81 0.00 0.00 61.98 58.50 1rai s VAL 121 Cb 0.00 -1.82 -0.04 0.00 0.56 0.00 0.00 36.38 35.09 1rai s VAL 121 CO 0.00 -0.02 0.24 -0.94 -0.31 0.00 0.00 175.10 174.07 1rai s SER 122 N -2.10 6.03 0.72 4.85 1.04 -1.26 -5.01 113.70 117.97 1rai s SER 122 Ca 0.12 0.04 -0.14 0.00 0.48 0.00 0.00 55.95 56.45 1rai s SER 122 Cb -0.09 -1.73 0.03 0.00 0.10 0.00 0.00 66.02 64.33 1rai s SER 122 CO 0.06 0.04 1.13 -0.94 0.98 0.00 0.00 173.24 174.51 1rai s SER 123 N -3.28 4.61 -0.23 7.02 1.04 -1.26 -4.77 113.70 116.82 1rai s SER 123 Ca 0.33 2.07 -0.15 0.00 0.48 0.00 0.00 55.95 58.69 1rai s SER 123 Cb -0.10 -2.56 0.07 0.00 0.10 0.00 0.00 66.02 63.53 1rai s SER 123 CO 0.27 -1.97 0.57 -0.55 0.98 0.00 0.00 173.24 172.53 1rai s SER 124 N -2.59 -0.72 -0.05 7.02 0.15 -1.26 -0.59 113.70 115.66 1rai s SER 124 Ca 0.68 1.22 0.04 0.00 0.70 0.00 0.00 55.95 58.58 1rai s SER 124 Cb -0.22 1.13 0.00 0.00 -1.71 0.00 0.00 66.02 65.22 1rai s SER 124 CO 0.46 -0.22 -0.15 -0.36 1.20 0.00 0.00 173.24 174.17 1rai s PHE 125 N 1.26 1.58 0.10 3.44 0.40 -0.98 -1.59 117.98 122.19 1rai s PHE 125 Ca -0.08 -0.48 -0.28 0.00 -0.60 0.00 0.00 56.93 55.49 1rai s PHE 125 Cb -0.06 -1.09 -0.06 0.00 0.51 0.00 0.00 43.02 42.32 1rai s PHE 125 CO -0.13 -0.19 0.87 0.00 0.70 0.00 0.00 175.22 176.47 1rai s ALA 126 N 0.20 3.31 0.11 5.36 0.00 0.21 -2.83 121.76 128.12 1rai s ALA 126 Ca -0.06 0.45 -0.16 0.00 0.00 0.00 0.00 51.96 52.18 1rai s ALA 126 Cb -0.12 -3.14 -0.07 0.00 0.00 0.00 0.00 23.12 19.79 1rai s ALA 126 CO 0.02 0.05 0.54 0.08 0.00 0.00 0.00 175.76 176.46 1rai s VAL 127 N -0.18 4.83 0.02 0.00 1.01 -0.90 -1.00 120.40 124.19 1rai s VAL 127 Ca 0.42 0.97 0.02 0.00 0.00 0.00 0.00 61.98 63.40 1rai s VAL 127 Cb -0.22 -3.79 -0.02 0.00 0.00 0.00 0.00 36.38 32.35 1rai s VAL 127 CO 0.27 0.39 -0.07 -0.13 0.00 0.00 0.00 175.10 175.56 1rai s ARG 128 N -1.56 0.51 -0.19 2.72 0.52 0.41 -4.91 118.95 116.44 1rai s ARG 128 Ca 0.33 -0.54 -0.08 0.00 -0.52 0.00 0.00 55.73 54.92 1rai s ARG 128 Cb -0.17 -0.37 0.03 0.00 0.52 0.00 0.00 34.95 34.97 1rai s ARG 128 CO 0.19 0.08 0.17 1.17 0.02 0.00 0.00 175.30 176.92 1rai n LYS 129 N 2.04 -3.90 -1.68 3.54 4.81 -1.26 -2.01 118.16 119.70 1rai n LYS 129 Ca -0.19 3.01 -0.39 0.00 -0.87 0.00 0.00 58.31 59.87 1rai n LYS 129 Cb 0.56 -4.54 0.03 0.00 0.02 0.00 0.00 35.03 31.10 1rai n LYS 129 CO 0.00 0.00 0.00 -2.13 1.17 0.00 0.00 177.40 176.44 1rai n ARG 130 N 1.60 1.54 0.00 1.64 0.00 -1.26 -2.90 116.66 117.27 1rai n ARG 130 Ca -0.28 0.56 0.00 0.00 -0.00 0.00 0.00 57.85 58.13 1rai n ARG 130 Cb 0.45 -2.35 0.00 0.00 0.00 0.00 0.00 32.46 30.56 1rai n ARG 130 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 1rai n ALA 131 N -0.87 0.00 0.51 5.13 0.00 -1.26 -4.21 120.51 119.81 1rai n ALA 131 Ca 0.10 0.00 0.10 0.00 0.00 0.00 0.00 53.44 53.64 1rai n ALA 131 Cb 0.43 0.00 0.41 0.00 0.00 0.00 0.00 19.45 20.29 1rai n ALA 131 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77 1rai n ASN 132 N 0.00 0.32 0.00 0.00 0.23 -1.26 -4.85 115.26 109.70 1rai n ASN 132 Ca 0.00 0.57 0.00 0.00 -0.53 0.00 0.00 54.58 54.62 1rai n ASN 132 Cb 0.00 -0.64 0.00 0.00 -2.08 0.00 0.00 39.78 37.06 1rai n ASN 132 CO 0.00 0.00 0.00 0.47 -0.93 0.00 0.00 177.26 176.80 1rai n ASP 133 N -1.84 0.00 0.00 0.53 8.00 -1.26 -5.16 116.55 116.82 1rai n ASP 133 Ca 0.03 0.00 0.00 0.00 0.71 0.00 0.00 54.79 55.53 1rai n ASP 133 Cb 0.22 0.00 0.00 0.00 -0.02 0.00 0.00 41.12 41.32 1rai n ASP 133 CO 0.00 0.00 0.00 -0.38 -0.39 0.00 0.00 177.20 176.43 1rai n ILE 134 N 0.00 0.00 -4.96 0.53 2.08 -1.14 -4.80 119.36 111.07 1rai n ILE 134 Ca 0.00 0.00 -0.32 0.00 0.56 0.00 0.00 62.75 62.99 1rai n ILE 134 Cb 0.00 0.00 -0.14 0.00 -0.75 0.00 0.00 39.64 38.75 1rai n ILE 134 CO 0.00 0.00 0.00 0.00 0.56 0.00 0.00 176.55 177.11 1rai s ALA 135 N 0.00 2.54 -0.13 -1.39 0.00 -0.85 -1.65 121.76 120.28 1rai s ALA 135 Ca 0.00 -0.99 0.02 0.00 0.00 0.00 0.00 51.96 50.99 1rai s ALA 135 Cb 0.00 -0.93 0.01 0.00 0.00 0.00 0.00 23.12 22.20 1rai s ALA 135 CO 0.00 0.48 -0.18 -0.51 0.00 0.00 0.00 175.76 175.55 1rai s LEU 136 N -0.45 1.89 -0.21 0.00 1.43 -0.79 -0.45 118.68 120.10 1rai s LEU 136 Ca 0.05 -0.52 -0.04 0.00 -1.03 0.00 0.00 54.13 52.59 1rai s LEU 136 Cb -0.12 -1.26 -0.01 0.00 0.03 0.00 0.00 46.19 44.83 1rai s LEU 136 CO 0.02 0.03 -0.03 -0.75 0.23 0.00 0.00 176.35 175.85 1rai s LYS 137 N 1.00 3.46 0.27 1.70 2.20 -0.17 -1.41 119.74 126.79 1rai s LYS 137 Ca -0.05 -0.59 -0.30 0.00 -0.36 0.00 0.00 55.97 54.67 1rai s LYS 137 Cb -0.15 -3.03 -0.11 0.00 -1.51 0.00 0.00 37.83 33.04 1rai s LYS 137 CO -0.03 -0.12 1.52 0.00 -0.36 0.00 0.00 175.35 176.35 1rai h LYS 139 N 5.00 0.55 0.00 0.00 3.64 -1.66 -2.35 116.57 121.76 1rai h LYS 139 Ca -0.46 -0.03 0.00 0.00 -1.27 0.00 0.00 60.65 58.88 1rai h LYS 139 Cb 1.22 -0.12 0.00 0.00 -0.41 0.00 0.00 32.23 32.91 1rai h LYS 139 CO 0.79 0.36 -0.22 1.88 -2.27 0.00 0.00 179.45 179.99 1rai h TYR 140 N 0.57 0.00 -0.00 1.91 0.05 -1.91 -3.40 116.97 114.19 1rai h TYR 140 Ca 0.39 0.00 0.00 0.00 0.05 0.00 0.00 58.73 59.17 1rai h TYR 140 Cb 0.48 0.00 0.00 0.00 1.01 0.00 0.00 36.73 38.22 1rai h TYR 140 CO -0.12 0.00 -0.11 0.00 -1.05 0.00 0.00 178.16 176.88 1rai n GLU 142 N -0.81 -4.23 -4.54 0.00 1.02 -0.88 -4.98 120.64 106.21 1rai n GLU 142 Ca 0.15 0.48 -0.34 0.00 -0.02 0.00 0.00 57.16 57.44 1rai n GLU 142 Cb 0.28 -5.14 -0.12 0.00 -0.02 0.00 0.00 31.44 26.44 1rai n GLU 142 CO 0.00 0.00 0.00 0.21 1.18 0.00 0.00 177.13 178.52 1rai s LYS 143 N -6.66 3.28 -0.21 3.49 2.47 -1.26 -4.86 119.74 116.00 1rai s LYS 143 Ca 0.50 -0.55 -0.07 0.00 -1.56 0.00 0.00 55.97 54.29 1rai s LYS 143 Cb -0.26 -2.75 -0.04 0.00 -1.46 0.00 0.00 37.83 33.32 1rai s LYS 143 CO 0.87 0.40 0.06 -2.00 0.16 0.00 0.00 175.35 174.85 1rai s GLU 144 N -0.10 3.83 0.31 4.03 2.12 -1.26 -1.79 118.70 125.84 1rai s GLU 144 Ca 0.01 -0.41 0.07 0.00 0.36 0.00 0.00 54.97 55.00 1rai s GLU 144 Cb -0.13 -3.24 -0.06 0.00 0.26 0.00 0.00 34.13 30.95 1rai s GLU 144 CO 0.03 0.09 -0.05 -0.06 -0.54 0.00 0.00 175.26 174.72 1rai s PHE 145 N 0.88 2.11 0.14 5.30 0.08 -0.50 -4.95 117.98 121.03 1rai s PHE 145 Ca 0.03 -0.67 -0.27 0.00 0.12 0.00 0.00 56.93 56.15 1rai s PHE 145 Cb -0.14 -1.24 -0.07 0.00 -0.57 0.00 0.00 43.02 41.00 1rai s PHE 145 CO 0.02 0.35 0.82 0.45 -0.10 0.00 0.00 175.22 176.77 1rai s SER 146 N -3.51 7.40 0.40 1.36 0.15 -1.26 -1.88 113.70 116.36 1rai s SER 146 Ca 0.31 1.66 0.14 0.00 0.70 0.00 0.00 55.95 58.77 1rai s SER 146 Cb 0.04 -2.52 0.99 0.00 -1.71 0.00 0.00 66.02 62.82 1rai s SER 146 CO 0.14 0.11 1.87 1.12 1.20 0.00 0.00 173.24 177.68 1rai h HIS 147 N 4.82 0.62 -0.92 3.44 2.07 -1.62 0.22 115.15 123.78 1rai h HIS 147 Ca -0.45 0.02 0.09 0.00 -2.85 0.00 0.00 60.37 57.18 1rai h HIS 147 Cb 1.21 -0.19 -0.07 0.00 2.57 0.00 0.00 27.41 30.92 1rai h HIS 147 CO 0.64 0.20 0.56 -0.91 -3.07 0.00 0.00 177.93 175.35 1rai h ASN 148 N 0.50 0.85 -0.09 3.10 2.35 -1.92 -0.63 115.58 119.74 1rai h ASN 148 Ca 0.45 0.03 -0.14 0.00 -0.55 0.00 0.00 56.30 56.10 1rai h ASN 148 Cb 0.97 -0.14 0.01 0.00 0.05 0.00 0.00 38.32 39.21 1rai h ASN 148 CO -0.18 0.50 -0.48 0.58 -1.65 0.00 0.00 177.43 176.20 1rai h VAL 149 N 0.96 1.38 0.00 2.81 2.07 -0.96 -3.23 116.25 119.28 1rai h VAL 149 Ca 0.43 -1.83 -0.02 0.00 0.82 0.00 0.00 66.70 66.10 1rai h VAL 149 Cb 0.32 2.25 -0.00 0.00 -1.52 0.00 0.00 31.29 32.34 1rai h VAL 149 CO -0.22 0.54 -0.09 0.58 0.02 0.00 0.00 177.57 178.40 1rai h VAL 150 N 0.05 0.44 -0.41 2.57 2.07 -0.54 -2.93 116.25 117.50 1rai h VAL 150 Ca -0.03 -0.44 -0.23 0.00 0.82 0.00 0.00 66.70 66.81 1rai h VAL 150 Cb 1.13 1.31 -0.12 0.00 -1.52 0.00 0.00 31.29 32.08 1rai h VAL 150 CO 0.10 0.08 0.30 0.18 0.02 0.00 0.00 177.57 178.25 1rai n LEU 151 N -3.52 5.11 0.04 2.57 4.77 -0.57 -4.13 117.00 121.27 1rai n LEU 151 Ca -0.02 -2.63 0.00 0.00 -0.03 0.00 0.00 56.01 53.34 1rai n LEU 151 Cb 0.22 -0.78 0.00 0.00 -2.33 0.00 0.00 43.42 40.53 1rai n LEU 151 CO 0.28 0.88 -0.00 0.00 -1.33 0.00 0.00 177.39 177.22 1rai n ALA 152 N 0.05 3.00 0.00 -1.18 0.00 -1.11 -5.02 120.51 116.26 1rai n ALA 152 Ca 0.25 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.69 1rai n ALA 152 Cb 0.85 0.00 0.00 0.00 0.00 0.00 0.00 19.45 20.30 1rai n ALA 152 CO 0.00 0.00 0.00 0.27 0.00 0.00 0.00 177.50 177.77