#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1aun n GLY 2 N 0.00 0.46 3.79 0.46 0.00 -1.26 -4.89 105.19 103.76 1aun n GLY 2 Ca 0.00 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.64 1aun n GLY 2 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 1aun s VAL 3 N -2.28 5.11 -0.07 1.61 1.01 -1.26 -0.48 120.40 124.04 1aun s VAL 3 Ca 0.00 0.82 0.04 0.00 0.00 0.00 0.00 61.98 62.85 1aun s VAL 3 Cb 0.00 -3.73 -0.00 0.00 0.00 0.00 0.00 36.38 32.65 1aun s VAL 3 CO 0.00 0.49 -0.21 -0.36 0.00 0.00 0.00 175.10 175.02 1aun s PHE 4 N -0.42 2.16 -0.18 5.22 0.40 0.21 -1.04 117.98 124.33 1aun s PHE 4 Ca 0.23 -0.74 -0.03 0.00 -0.60 0.00 0.00 56.93 55.79 1aun s PHE 4 Cb -0.16 -1.45 -0.02 0.00 0.51 0.00 0.00 43.02 41.91 1aun s PHE 4 CO 0.11 -0.28 -0.05 -2.00 0.70 0.00 0.00 175.22 173.70 1aun s GLU 5 N 0.16 3.49 -0.30 0.44 2.12 -0.69 -1.91 118.70 122.02 1aun s GLU 5 Ca -0.10 -0.59 -0.01 0.00 0.36 0.00 0.00 54.97 54.62 1aun s GLU 5 Cb -0.15 -2.93 0.05 0.00 0.26 0.00 0.00 34.13 31.37 1aun s GLU 5 CO 0.05 0.02 -0.00 0.08 -0.54 0.00 0.00 175.26 174.87 1aun s VAL 6 N 0.91 2.91 -0.12 3.70 1.01 0.69 -0.30 120.40 129.20 1aun s VAL 6 Ca -0.01 -1.45 -0.02 0.00 0.00 0.00 0.00 61.98 60.50 1aun s VAL 6 Cb -0.15 -2.70 -0.03 0.00 0.00 0.00 0.00 36.38 33.51 1aun s VAL 6 CO 0.01 -0.13 -0.06 -2.28 0.00 0.00 0.00 175.10 172.64 1aun s HIS 7 N 1.23 2.98 -0.31 5.22 5.04 0.27 -0.20 115.29 129.51 1aun s HIS 7 Ca -0.05 -0.21 -0.11 0.00 -1.54 0.00 0.00 55.06 53.16 1aun s HIS 7 Cb -0.20 -1.85 -0.02 0.00 0.04 0.00 0.00 32.58 30.55 1aun s HIS 7 CO -0.02 0.09 0.18 1.21 -2.34 0.00 0.00 174.74 173.86 1aun s ASN 8 N -0.10 5.73 -0.03 9.88 2.47 -0.57 -0.75 114.94 131.58 1aun s ASN 8 Ca 0.01 -0.40 0.09 0.00 0.42 0.00 0.00 52.86 52.98 1aun s ASN 8 Cb -0.13 -2.05 0.24 0.00 -1.45 0.00 0.00 41.25 37.85 1aun s ASN 8 CO 0.03 -0.17 1.19 -3.20 -3.72 0.00 0.00 177.10 171.22 1aun n ASN 9 N 5.03 2.73 -4.81 -4.21 4.05 -0.24 -0.10 115.26 117.70 1aun n ASN 9 Ca -0.14 -2.16 -0.34 0.00 0.45 0.00 0.00 54.58 52.39 1aun n ASN 9 Cb 0.50 -0.21 -0.06 0.00 1.23 0.00 0.00 39.78 41.24 1aun n ASN 9 CO 0.00 0.00 0.00 0.00 -3.05 0.00 0.00 177.26 174.21 1aun h PRO 11 N 1.90 0.43 -6.74 0.00 0.13 -1.95 -3.38 132.00 122.39 1aun h PRO 11 Ca -0.49 -0.07 -0.44 0.00 -0.87 0.00 0.00 66.00 64.13 1aun h PRO 11 Cb 1.19 -0.07 0.04 0.00 0.13 0.00 0.00 31.00 32.28 1aun h PRO 11 CO 0.61 0.43 -0.08 1.52 -0.23 0.00 0.00 178.00 180.24 1aun s TYR 12 N -5.06 3.00 0.38 1.56 -0.85 -1.26 -4.74 117.35 110.38 1aun s TYR 12 Ca -0.07 0.05 -0.25 0.00 -0.52 0.00 0.00 57.07 56.28 1aun s TYR 12 Cb 0.16 -2.54 -0.09 0.00 0.38 0.00 0.00 41.96 39.87 1aun s TYR 12 CO 0.74 -0.62 1.04 0.99 -1.52 0.00 0.00 175.55 176.18 1aun s THR 13 N -2.64 3.75 -0.07 -3.49 2.01 -1.26 -4.50 115.64 109.43 1aun s THR 13 Ca 0.53 1.38 0.01 0.00 0.31 0.00 0.00 61.69 63.92 1aun s THR 13 Cb -0.10 -3.73 0.02 0.00 0.01 0.00 0.00 72.50 68.70 1aun s THR 13 CO 0.38 0.04 -0.09 -0.69 -0.69 0.00 0.00 174.62 173.56 1aun s VAL 14 N -1.62 0.98 -0.67 3.82 1.01 -0.64 -4.54 120.40 118.74 1aun s VAL 14 Ca 0.56 -0.35 -0.17 0.00 0.00 0.00 0.00 61.98 62.02 1aun s VAL 14 Cb -0.22 -0.94 0.13 0.00 0.00 0.00 0.00 36.38 35.35 1aun s VAL 14 CO 0.28 0.33 0.73 0.26 0.00 0.00 0.00 175.10 176.70 1aun s TRP 15 N 1.01 3.20 0.65 5.22 0.51 -0.40 -0.56 118.94 128.57 1aun s TRP 15 Ca -0.08 -1.27 -0.17 0.00 -2.12 0.00 0.00 56.10 52.45 1aun s TRP 15 Cb -0.15 -3.97 -0.01 0.00 -0.81 0.00 0.00 33.47 28.54 1aun s TRP 15 CO -0.00 -1.21 1.21 0.00 -0.51 0.00 0.00 176.95 176.44 1aun s ALA 16 N 2.01 2.39 0.03 0.98 0.00 0.09 -1.13 121.76 126.13 1aun s ALA 16 Ca 0.14 0.97 -0.08 0.00 0.00 0.00 0.00 51.96 52.98 1aun s ALA 16 Cb -0.20 -3.46 -0.00 0.00 0.00 0.00 0.00 23.12 19.45 1aun s ALA 16 CO 0.01 -1.44 0.15 0.00 0.00 0.00 0.00 175.76 174.48 1aun s ALA 17 N -1.73 -0.27 -0.27 0.00 0.00 0.49 -1.60 121.76 118.37 1aun s ALA 17 Ca 0.76 -0.32 -0.24 0.00 0.00 0.00 0.00 51.96 52.17 1aun s ALA 17 Cb -0.30 0.22 0.08 0.00 0.00 0.00 0.00 23.12 23.12 1aun s ALA 17 CO 0.38 -0.31 0.76 0.00 0.00 0.00 0.00 175.76 176.60 1aun s ALA 18 N -2.25 -1.82 0.03 0.00 0.00 -0.75 -1.14 121.76 115.82 1aun s ALA 18 Ca -0.08 2.05 0.00 0.00 0.00 0.00 0.00 51.96 53.94 1aun s ALA 18 Cb -0.03 -1.25 -0.02 0.00 0.00 0.00 0.00 23.12 21.82 1aun s ALA 18 CO -0.03 -0.33 -0.04 0.95 0.00 0.00 0.00 175.76 176.32 1aun s THR 19 N 0.50 0.20 -2.14 0.00 -4.23 -0.63 -1.42 115.64 107.92 1aun s THR 19 Ca -0.01 -1.12 0.31 0.00 -1.18 0.00 0.00 61.69 59.69 1aun s THR 19 Cb -0.05 -0.56 0.79 0.00 1.34 0.00 0.00 72.50 74.02 1aun s THR 19 CO -0.02 -0.58 2.07 -0.81 -0.54 0.00 0.00 174.62 174.74 1aun n PRO 20 N 1.28 1.19 -4.30 3.99 -0.04 -1.26 -1.19 135.00 134.67 1aun n PRO 20 Ca -0.22 -0.30 -0.24 0.00 -0.04 0.00 0.00 63.50 62.70 1aun n PRO 20 Cb 0.56 -1.49 -0.12 0.00 -0.04 0.00 0.00 33.50 32.40 1aun n PRO 20 CO 0.00 0.00 0.00 0.14 -0.04 0.00 0.00 175.50 175.60 1aun s VAL 21 N -2.01 1.77 0.00 0.52 -7.23 -1.26 -4.89 120.40 107.29 1aun s VAL 21 Ca 0.44 -1.62 0.00 0.00 -1.81 0.00 0.00 61.98 58.99 1aun s VAL 21 Cb 0.22 -1.63 0.00 0.00 0.56 0.00 0.00 36.38 35.52 1aun s VAL 21 CO 0.36 -0.09 0.00 0.61 -0.31 0.00 0.00 175.10 175.67 1aun n GLY 22 N 0.94 2.31 0.00 2.32 0.00 -1.26 -4.63 105.19 104.87 1aun n GLY 22 Ca -0.18 -0.72 0.00 0.00 0.00 0.00 0.00 46.02 45.11 1aun n GLY 22 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aun n GLY 23 N 0.00 1.03 3.57 -0.02 0.00 -0.51 -4.92 105.19 104.34 1aun n GLY 23 Ca 0.00 -0.84 -0.08 0.00 0.00 0.00 0.00 46.02 45.10 1aun n GLY 23 CO 0.00 0.00 0.00 -0.32 0.00 0.00 0.00 173.32 173.00 1aun s GLY 24 N 0.00 -0.29 -0.23 -0.02 0.00 -1.26 -1.81 107.32 103.71 1aun s GLY 24 Ca 0.00 1.75 -0.20 0.00 0.00 0.00 0.00 44.72 46.27 1aun s GLY 24 CO 0.00 0.75 0.61 -1.60 0.00 0.00 0.00 173.10 172.86 1aun s ARG 25 N -1.89 0.69 -0.02 2.90 6.06 -0.63 -4.72 118.95 121.34 1aun s ARG 25 Ca 0.03 0.90 -0.30 0.00 -2.50 0.00 0.00 55.73 53.86 1aun s ARG 25 Cb -0.01 0.29 -0.03 0.00 0.06 0.00 0.00 34.95 35.26 1aun s ARG 25 CO -0.03 -0.10 1.08 0.50 -2.50 0.00 0.00 175.30 174.24 1aun s ARG 26 N 0.58 4.46 -0.22 5.12 3.52 -1.26 -0.73 118.95 130.42 1aun s ARG 26 Ca -0.02 1.54 0.00 0.00 -0.13 0.00 0.00 55.73 57.12 1aun s ARG 26 Cb -0.05 -3.48 0.06 0.00 -1.56 0.00 0.00 34.95 29.92 1aun s ARG 26 CO -0.03 -0.24 -0.05 -0.51 -0.81 0.00 0.00 175.30 173.66 1aun s LEU 27 N 1.50 2.30 0.66 -0.88 1.43 0.28 -4.94 118.68 119.02 1aun s LEU 27 Ca 0.53 -1.05 -0.10 0.00 -1.03 0.00 0.00 54.13 52.48 1aun s LEU 27 Cb -0.23 -1.10 0.00 0.00 0.03 0.00 0.00 46.19 44.90 1aun s LEU 27 CO 0.25 -0.23 1.03 -1.61 0.23 0.00 0.00 176.35 176.02 1aun s GLU 28 N 1.47 2.99 0.24 1.70 2.02 -1.26 -1.62 118.70 124.23 1aun s GLU 28 Ca -0.04 0.38 -0.31 0.00 0.02 0.00 0.00 54.97 55.02 1aun s GLU 28 Cb -0.18 -2.10 -0.14 0.00 0.10 0.00 0.00 34.13 31.81 1aun s GLU 28 CO -0.07 -0.87 1.32 -2.13 0.02 0.00 0.00 175.26 173.53 1aun n ARG 29 N -2.85 1.81 0.00 1.61 0.63 -1.26 -1.79 116.66 114.81 1aun n ARG 29 Ca 0.06 0.64 0.00 0.00 -0.92 0.00 0.00 57.85 57.63 1aun n ARG 29 Cb 0.57 -2.24 0.00 0.00 0.45 0.00 0.00 32.46 31.24 1aun n ARG 29 CO 0.00 0.00 0.00 0.41 -2.51 0.00 0.00 177.63 175.53 1aun n GLY 30 N 1.94 2.28 3.86 5.14 0.00 0.85 -5.01 105.19 114.25 1aun n GLY 30 Ca 0.12 0.00 -0.31 0.00 0.00 0.00 0.00 46.02 45.82 1aun n GLY 30 CO 0.00 0.00 0.00 1.20 0.00 0.00 0.00 173.32 174.52 1aun s GLN 31 N -0.60 3.87 0.12 1.61 -0.21 -0.74 -4.88 119.66 118.83 1aun s GLN 31 Ca 0.00 0.57 0.08 0.00 0.02 0.00 0.00 55.36 56.02 1aun s GLN 31 Cb 0.00 -2.39 -0.04 0.00 1.00 0.00 0.00 33.01 31.58 1aun s GLN 31 CO 0.00 0.02 -0.19 -1.12 -2.12 0.00 0.00 175.29 171.88 1aun s SER 32 N -2.84 2.45 -0.08 5.90 0.01 -1.26 -1.51 113.70 116.36 1aun s SER 32 Ca 0.53 -0.76 0.04 0.00 1.31 0.00 0.00 55.95 57.07 1aun s SER 32 Cb -0.10 -0.13 0.00 0.00 0.21 0.00 0.00 66.02 66.00 1aun s SER 32 CO 0.26 -0.01 -0.20 0.86 0.41 0.00 0.00 173.24 174.56 1aun s TRP 33 N -1.61 2.19 -0.09 2.43 -0.00 0.72 -4.94 118.94 117.63 1aun s TRP 33 Ca 0.09 -0.84 0.04 0.00 -0.00 0.00 0.00 56.10 55.40 1aun s TRP 33 Cb -0.08 -1.48 -0.01 0.00 -0.00 0.00 0.00 33.47 31.90 1aun s TRP 33 CO 0.05 -0.34 -0.22 -1.58 -0.00 0.00 0.00 176.95 174.86 1aun s TRP 34 N 0.35 2.57 0.13 5.86 0.52 -1.26 -0.22 118.94 126.89 1aun s TRP 34 Ca -0.15 -0.78 -0.10 0.00 0.02 0.00 0.00 56.10 55.08 1aun s TRP 34 Cb -0.16 -1.69 0.00 0.00 -1.15 0.00 0.00 33.47 30.47 1aun s TRP 34 CO 0.07 -0.26 0.28 -0.59 0.02 0.00 0.00 176.95 176.46 1aun s PHE 35 N 0.07 0.18 -0.02 -1.98 -0.12 -0.80 -5.00 117.98 110.31 1aun s PHE 35 Ca -0.09 -0.56 0.07 0.00 -0.05 0.00 0.00 56.93 56.29 1aun s PHE 35 Cb -0.15 0.01 -0.02 0.00 -0.63 0.00 0.00 43.02 42.23 1aun s PHE 35 CO 0.06 -0.66 -0.23 -0.46 -0.05 0.00 0.00 175.22 173.88 1aun s TRP 36 N -3.89 2.04 -0.19 3.49 -0.00 -1.26 -0.62 118.94 118.51 1aun s TRP 36 Ca 0.10 -0.39 -0.03 0.00 -0.00 0.00 0.00 56.10 55.78 1aun s TRP 36 Cb 0.03 -1.31 -0.02 0.00 -0.00 0.00 0.00 33.47 32.18 1aun s TRP 36 CO -0.06 -0.04 -0.05 0.00 -0.00 0.00 0.00 176.95 176.80 1aun s ALA 37 N -0.53 2.86 0.73 5.86 0.00 0.36 -4.82 121.76 126.22 1aun s ALA 37 Ca 0.09 -1.02 -0.16 0.00 0.00 0.00 0.00 51.96 50.87 1aun s ALA 37 Cb -0.09 -1.60 0.04 0.00 0.00 0.00 0.00 23.12 21.47 1aun s ALA 37 CO -0.01 -0.13 1.25 -2.14 0.00 0.00 0.00 175.76 174.73 1aun s PRO 38 N 0.98 2.07 0.37 0.00 0.02 -1.26 -4.58 135.00 132.59 1aun s PRO 38 Ca 0.00 1.91 -0.28 0.00 0.02 0.00 0.00 61.00 62.65 1aun s PRO 38 Cb -0.15 -1.81 -0.11 0.00 0.02 0.00 0.00 34.50 32.46 1aun s PRO 38 CO 0.01 -1.93 1.50 -1.25 -0.33 0.00 0.00 177.00 175.00 1aun s PRO 39 N -3.77 4.10 0.00 5.54 0.04 -1.26 -2.33 135.00 137.33 1aun s PRO 39 Ca 0.78 2.58 0.00 0.00 0.04 0.00 0.00 61.00 64.40 1aun s PRO 39 Cb -0.33 -2.97 0.00 0.00 0.04 0.00 0.00 34.50 31.24 1aun s PRO 39 CO 0.45 -0.56 0.00 0.41 0.04 0.00 0.00 177.00 177.35 1aun n GLY 40 N 0.66 0.74 3.67 0.56 0.00 -1.17 -5.03 105.19 104.62 1aun n GLY 40 Ca 0.02 0.00 -0.48 0.00 0.00 0.00 0.00 46.02 45.56 1aun n GLY 40 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 173.32 175.73 1aun n THR 41 N -2.00 0.19 -4.47 2.61 -1.04 -0.98 -4.69 114.28 103.89 1aun n THR 41 Ca 0.00 -0.03 -0.23 0.00 -2.04 0.00 0.00 64.05 61.75 1aun n THR 41 Cb 0.00 -1.55 -0.11 0.00 -1.82 0.00 0.00 70.33 66.85 1aun n THR 41 CO 0.00 0.00 0.00 -0.54 -0.64 0.00 0.00 175.07 173.89 1aun s LYS 42 N 1.93 1.67 -1.65 -2.82 1.02 -1.26 -0.77 119.74 117.86 1aun s LYS 42 Ca 0.84 -1.90 -0.16 0.00 0.02 0.00 0.00 55.97 54.77 1aun s LYS 42 Cb -0.73 -1.11 0.13 0.00 -0.52 0.00 0.00 37.83 35.60 1aun s LYS 42 CO 0.44 -0.08 0.75 -1.33 -0.92 0.00 0.00 175.35 174.21 1aun n MET 43 N -0.70 -3.37 -3.74 1.68 2.81 -1.25 -4.80 117.12 107.76 1aun n MET 43 Ca -0.04 0.39 -0.30 0.00 -1.81 0.00 0.00 57.70 55.95 1aun n MET 43 Cb 0.66 -5.05 -0.04 0.00 -0.71 0.00 0.00 33.22 28.08 1aun n MET 43 CO 0.00 0.00 0.00 0.00 1.51 0.00 0.00 175.97 177.48 1aun s ALA 44 N -3.38 3.86 0.01 3.04 0.00 -0.96 -4.66 121.76 119.66 1aun s ALA 44 Ca 0.64 -0.74 -0.05 0.00 0.00 0.00 0.00 51.96 51.81 1aun s ALA 44 Cb -0.34 -2.00 -0.00 0.00 0.00 0.00 0.00 23.12 20.77 1aun s ALA 44 CO 0.92 0.61 0.09 -0.98 0.00 0.00 0.00 175.76 176.40 1aun s ARG 45 N -2.91 0.45 -0.04 0.00 1.70 -0.33 -2.04 118.95 115.79 1aun s ARG 45 Ca 0.39 -0.48 0.03 0.00 -0.47 0.00 0.00 55.73 55.19 1aun s ARG 45 Cb -0.12 0.18 0.01 0.00 -0.57 0.00 0.00 34.95 34.45 1aun s ARG 45 CO 0.27 -0.10 -0.11 0.42 -1.08 0.00 0.00 175.30 174.70 1aun s ILE 46 N -1.50 0.96 0.30 4.99 1.01 0.12 -1.60 121.20 125.48 1aun s ILE 46 Ca -0.14 -0.43 -0.09 0.00 0.00 0.00 0.00 60.65 59.98 1aun s ILE 46 Cb -0.08 -0.86 0.01 0.00 0.01 0.00 0.00 42.46 41.54 1aun s ILE 46 CO 0.01 0.30 0.52 -1.66 0.00 0.00 0.00 174.94 174.10 1aun s TRP 47 N 0.32 0.58 0.05 3.97 -2.14 -0.29 -1.89 118.94 119.55 1aun s TRP 47 Ca -0.06 -0.94 0.09 0.00 2.66 0.00 0.00 56.10 57.84 1aun s TRP 47 Cb -0.11 0.18 -0.03 0.00 -3.10 0.00 0.00 33.47 30.41 1aun s TRP 47 CO 0.01 -1.12 -0.25 0.20 -2.66 0.00 0.00 176.95 173.13 1aun s GLY 48 N -3.10 1.33 -0.07 3.67 0.00 -1.26 -0.38 107.32 107.51 1aun s GLY 48 Ca 0.24 -1.23 0.03 0.00 0.00 0.00 0.00 44.72 43.77 1aun s GLY 48 CO 0.13 -1.14 -0.16 0.50 0.00 0.00 0.00 173.10 172.44 1aun s ARG 49 N -1.32 2.67 0.15 2.90 0.52 -0.28 -4.66 118.95 118.92 1aun s ARG 49 Ca 0.11 -0.73 0.07 0.00 -0.52 0.00 0.00 55.73 54.66 1aun s ARG 49 Cb -0.10 -2.38 -0.04 0.00 0.52 0.00 0.00 34.95 32.95 1aun s ARG 49 CO 0.02 0.51 -0.05 0.95 0.02 0.00 0.00 175.30 176.75 1aun s THR 50 N -0.43 3.51 -1.08 0.02 -4.23 -1.20 -1.28 115.64 110.95 1aun s THR 50 Ca 0.05 -1.39 -0.16 0.00 -1.18 0.00 0.00 61.69 59.02 1aun s THR 50 Cb -0.12 -2.71 -0.02 0.00 1.34 0.00 0.00 72.50 70.98 1aun s THR 50 CO 0.02 -0.02 0.82 -3.20 -0.54 0.00 0.00 174.62 171.70 1aun n ASN 51 N 0.24 -5.79 -4.97 3.99 2.85 -1.26 -1.55 115.26 108.78 1aun n ASN 51 Ca -0.11 -0.89 -0.21 0.00 -0.11 0.00 0.00 54.58 53.26 1aun n ASN 51 Cb 0.54 -3.87 0.01 0.00 1.24 0.00 0.00 39.78 37.71 1aun n ASN 51 CO 0.00 0.00 0.00 0.00 -2.11 0.00 0.00 177.26 175.15 1aun s ASN 53 N -4.27 0.30 0.17 0.00 3.84 -0.27 -4.98 114.94 109.74 1aun s ASN 53 Ca 0.50 0.06 0.11 0.00 0.21 0.00 0.00 52.86 53.74 1aun s ASN 53 Cb -0.10 1.11 -0.04 0.00 -0.55 0.00 0.00 41.25 41.66 1aun s ASN 53 CO 0.36 -0.31 -0.24 -0.36 -2.79 0.00 0.00 177.10 173.76 1aun s PHE 54 N 2.54 2.33 0.00 0.43 0.08 -1.26 -2.08 117.98 120.02 1aun s PHE 54 Ca 0.12 -0.35 0.00 0.00 0.12 0.00 0.00 56.93 56.82 1aun s PHE 54 Cb -0.15 -1.19 0.00 0.00 -0.57 0.00 0.00 43.02 41.12 1aun s PHE 54 CO -0.20 0.45 0.00 -0.40 -0.10 0.00 0.00 175.22 174.97 1aun n ASP 55 N 0.45 0.00 0.23 1.36 5.68 -0.39 -4.95 116.55 118.93 1aun n ASP 55 Ca -0.14 -0.76 0.11 0.00 -0.50 0.00 0.00 54.79 53.50 1aun n ASP 55 Cb 0.55 0.00 0.50 0.00 -1.14 0.00 0.00 41.12 41.03 1aun n ASP 55 CO 0.00 0.00 0.00 1.23 -1.33 0.00 0.00 177.20 177.10 1aun h GLY 56 N 0.00 0.00 0.40 6.12 0.00 -2.02 -3.04 103.07 104.54 1aun h GLY 56 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.33 1aun h GLY 56 CO 0.00 0.00 -0.14 0.00 0.00 0.00 0.00 176.54 176.40 1aun n ALA 57 N -2.22 2.84 -0.42 3.60 0.00 -1.26 -4.93 120.51 118.11 1aun n ALA 57 Ca -0.00 -0.35 0.00 0.00 0.00 0.00 0.00 53.44 53.09 1aun n ALA 57 Cb 0.40 -1.24 0.00 0.00 0.00 0.00 0.00 19.45 18.61 1aun n ALA 57 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1aun n GLY 58 N 1.27 0.76 3.63 0.00 0.00 -1.15 -4.99 105.19 104.71 1aun n GLY 58 Ca 0.15 -0.25 -0.34 0.00 0.00 0.00 0.00 46.02 45.58 1aun n GLY 58 CO 0.00 0.00 0.00 1.09 0.00 0.00 0.00 173.32 174.41 1aun s ARG 59 N -0.72 3.09 0.00 1.61 1.70 -1.26 -1.45 118.95 121.92 1aun s ARG 59 Ca 0.00 -0.46 0.00 0.00 -0.47 0.00 0.00 55.73 54.80 1aun s ARG 59 Cb 0.00 -2.78 0.00 0.00 -0.57 0.00 0.00 34.95 31.60 1aun s ARG 59 CO 0.00 0.60 0.00 0.41 -1.08 0.00 0.00 175.30 175.23 1aun n GLY 60 N 2.45 1.05 3.31 3.88 0.00 -0.11 -1.26 105.19 114.51 1aun n GLY 60 Ca -0.18 -0.22 -0.11 0.00 0.00 0.00 0.00 46.02 45.51 1aun n GLY 60 CO 0.00 0.00 0.00 0.66 0.00 0.00 0.00 173.32 173.98 1aun s TRP 61 N -0.76 -0.21 0.03 1.61 -2.14 -0.89 -4.18 118.94 112.41 1aun s TRP 61 Ca 0.00 -0.06 0.03 0.00 2.66 0.00 0.00 56.10 58.73 1aun s TRP 61 Cb 0.00 0.24 -0.02 0.00 -3.10 0.00 0.00 33.47 30.59 1aun s TRP 61 CO 0.00 -0.67 -0.09 0.00 -2.66 0.00 0.00 176.95 173.53 1aun h GLN 63 N 4.90 0.65 -4.25 0.00 4.15 -0.86 -3.40 115.11 116.29 1aun h GLN 63 Ca -0.35 -0.17 -0.25 0.00 0.77 0.00 0.00 58.65 58.66 1aun h GLN 63 Cb 1.19 -0.08 -0.23 0.00 0.21 0.00 0.00 27.48 28.58 1aun h GLN 63 CO 0.43 0.69 -0.73 0.95 -1.93 0.00 0.00 178.83 178.25 1aun s THR 64 N -4.92 0.33 -0.22 2.39 -4.23 -1.20 -4.88 115.64 102.92 1aun s THR 64 Ca -0.08 -0.77 0.00 0.00 -1.18 0.00 0.00 61.69 59.66 1aun s THR 64 Cb 0.15 -0.39 0.00 0.00 1.34 0.00 0.00 72.50 73.60 1aun s THR 64 CO 0.79 -0.30 0.00 0.61 -0.54 0.00 0.00 174.62 175.18 1aun n GLY 65 N 1.92 0.44 3.67 3.99 0.00 -0.41 -3.22 105.19 111.57 1aun n GLY 65 Ca -0.20 -0.11 -0.47 0.00 0.00 0.00 0.00 46.02 45.23 1aun n GLY 65 CO 0.00 0.00 0.00 1.34 0.00 0.00 0.00 173.32 174.66 1aun n ASP 66 N -0.34 3.12 -3.72 1.61 -0.08 -1.26 -3.88 116.55 112.00 1aun n ASP 66 Ca -0.02 1.04 -0.36 0.00 -1.51 0.00 0.00 54.79 53.95 1aun n ASP 66 Cb 0.27 -1.39 -0.03 0.00 2.34 0.00 0.00 41.12 42.32 1aun n ASP 66 CO 0.00 0.00 0.00 0.00 0.12 0.00 0.00 177.20 177.32 1aun n GLY 68 N 1.02 -0.02 2.32 0.00 0.00 -1.26 -3.64 105.19 103.61 1aun n GLY 68 Ca 0.29 -0.46 -0.06 0.00 0.00 0.00 0.00 46.02 45.78 1aun n GLY 68 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aun n GLY 69 N -1.02 0.85 3.38 -0.02 0.00 -1.26 -5.00 105.19 102.12 1aun n GLY 69 Ca -0.11 -0.44 -0.25 0.00 0.00 0.00 0.00 46.02 45.22 1aun n GLY 69 CO 0.00 0.00 0.00 -1.34 0.00 0.00 0.00 173.32 171.98 1aun s VAL 70 N -2.11 2.11 -0.08 1.61 -7.23 -1.24 -0.94 120.40 112.53 1aun s VAL 70 Ca 0.00 -1.95 -0.26 0.00 -1.81 0.00 0.00 61.98 57.96 1aun s VAL 70 Cb 0.00 -1.98 -0.24 0.00 0.56 0.00 0.00 36.38 34.73 1aun s VAL 70 CO 0.00 -0.18 0.99 0.25 -0.31 0.00 0.00 175.10 175.85 1aun h LEU 71 N 3.29 0.09 -8.03 1.32 5.85 -1.60 -3.40 115.31 112.84 1aun h LEU 71 Ca -0.45 -0.79 -0.70 0.00 0.84 0.00 0.00 57.88 56.78 1aun h LEU 71 Cb 1.20 -0.03 -0.19 0.00 0.37 0.00 0.00 40.66 42.02 1aun h LEU 71 CO 0.48 0.87 0.53 -1.61 -0.34 0.00 0.00 178.44 178.37 1aun s GLU 72 N -3.07 3.43 0.30 1.25 2.02 -1.26 -4.07 118.70 117.29 1aun s GLU 72 Ca -0.17 -1.67 -0.29 0.00 0.02 0.00 0.00 54.97 52.86 1aun s GLU 72 Cb -0.00 -4.62 -0.13 0.00 0.10 0.00 0.00 34.13 29.49 1aun s GLU 72 CO 0.71 -1.65 1.38 0.00 0.02 0.00 0.00 175.26 175.71 1aun n LYS 74 N 1.24 0.63 -3.61 0.00 4.01 -1.26 -4.35 118.16 114.81 1aun n LYS 74 Ca 0.07 -0.04 -0.16 0.00 -0.51 0.00 0.00 58.31 57.67 1aun n LYS 74 Cb 0.35 -1.13 -0.05 0.00 -0.51 0.00 0.00 35.03 33.69 1aun n LYS 74 CO 0.00 0.00 0.00 0.41 -1.11 0.00 0.00 177.40 176.70 1aun n GLY 75 N 2.26 3.47 3.79 0.72 0.00 -1.26 -4.97 105.19 109.20 1aun n GLY 75 Ca -0.02 -2.01 -0.32 0.00 0.00 0.00 0.00 46.02 43.68 1aun n GLY 75 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1aun s TRP 76 N -2.66 2.84 0.57 1.61 0.51 -1.26 -4.85 118.94 115.70 1aun s TRP 76 Ca 0.17 1.50 -0.04 0.00 -2.12 0.00 0.00 56.10 55.61 1aun s TRP 76 Cb 0.01 -3.01 0.01 0.00 -0.81 0.00 0.00 33.47 29.67 1aun s TRP 76 CO 0.12 -1.45 0.85 0.20 -0.51 0.00 0.00 176.95 176.16 1aun s GLY 77 N -3.23 1.62 -0.04 0.98 0.00 -1.26 -4.44 107.32 100.95 1aun s GLY 77 Ca 0.62 -0.84 -0.27 0.00 0.00 0.00 0.00 44.72 44.23 1aun s GLY 77 CO 0.49 -0.57 0.86 1.25 0.00 0.00 0.00 173.10 175.13 1aun s LYS 78 N -4.91 4.50 0.82 2.90 2.36 0.19 -4.85 119.74 120.75 1aun s LYS 78 Ca 0.53 1.19 -0.12 0.00 -2.55 0.00 0.00 55.97 55.02 1aun s LYS 78 Cb -0.10 -3.46 0.09 0.00 -1.05 0.00 0.00 37.83 33.31 1aun s LYS 78 CO 0.43 -0.02 1.15 -2.14 1.55 0.00 0.00 175.35 176.32 1aun s PRO 79 N 0.99 1.67 0.08 4.03 0.02 -1.26 -1.29 135.00 139.23 1aun s PRO 79 Ca 0.46 1.52 -0.23 0.00 0.02 0.00 0.00 61.00 62.77 1aun s PRO 79 Cb -0.19 -1.80 -0.07 0.00 0.02 0.00 0.00 34.50 32.46 1aun s PRO 79 CO 0.23 -2.15 0.68 -1.25 -0.33 0.00 0.00 177.00 174.19 1aun s PRO 80 N -4.47 4.40 -0.21 5.54 0.04 -1.26 -4.70 135.00 134.34 1aun s PRO 80 Ca 0.68 0.94 -0.08 0.00 0.04 0.00 0.00 61.00 62.57 1aun s PRO 80 Cb -0.23 -3.29 0.09 0.00 0.04 0.00 0.00 34.50 31.11 1aun s PRO 80 CO 0.53 0.50 0.45 0.54 0.04 0.00 0.00 177.00 179.06 1aun s ASN 81 N -0.74 -0.42 0.33 6.66 2.20 -0.54 -3.82 114.94 118.61 1aun s ASN 81 Ca 0.33 1.05 -0.29 0.00 -0.94 0.00 0.00 52.86 53.01 1aun s ASN 81 Cb -0.21 1.32 -0.10 0.00 -2.00 0.00 0.00 41.25 40.26 1aun s ASN 81 CO 0.22 -0.22 1.38 -0.89 -2.94 0.00 0.00 177.10 174.64 1aun s THR 82 N 2.35 2.52 0.02 0.54 2.01 -1.22 -4.38 115.64 117.49 1aun s THR 82 Ca -0.04 0.51 0.07 0.00 0.31 0.00 0.00 61.69 62.54 1aun s THR 82 Cb -0.11 -3.33 -0.02 0.00 0.01 0.00 0.00 72.50 69.05 1aun s THR 82 CO -0.14 0.12 -0.22 -0.76 -0.69 0.00 0.00 174.62 172.93 1aun s LEU 83 N -1.63 2.12 -0.22 4.42 1.43 -0.66 -4.46 118.68 119.68 1aun s LEU 83 Ca 0.52 -0.48 -0.03 0.00 -1.03 0.00 0.00 54.13 53.11 1aun s LEU 83 Cb -0.42 -1.06 0.00 0.00 0.03 0.00 0.00 46.19 44.74 1aun s LEU 83 CO 0.54 0.21 -0.07 0.00 0.23 0.00 0.00 176.35 177.26 1aun s ALA 84 N -0.69 2.70 0.10 4.21 0.00 -0.79 -0.08 121.76 127.21 1aun s ALA 84 Ca 0.08 -1.24 0.08 0.00 0.00 0.00 0.00 51.96 50.88 1aun s ALA 84 Cb -0.09 -1.61 -0.04 0.00 0.00 0.00 0.00 23.12 21.39 1aun s ALA 84 CO 0.01 -0.50 -0.17 -1.21 0.00 0.00 0.00 175.76 173.89 1aun s GLU 85 N 1.41 1.88 0.14 0.00 2.02 0.41 -0.70 118.70 123.84 1aun s GLU 85 Ca 0.04 -1.13 -0.19 0.00 0.02 0.00 0.00 54.97 53.71 1aun s GLU 85 Cb -0.15 -2.15 0.05 0.00 0.10 0.00 0.00 34.13 31.98 1aun s GLU 85 CO -0.05 0.49 0.49 1.52 0.02 0.00 0.00 175.26 177.73 1aun s TYR 86 N -1.12 -0.36 -0.18 1.61 -0.85 -0.86 -1.14 117.35 114.43 1aun s TYR 86 Ca 0.18 0.11 -0.07 0.00 -0.52 0.00 0.00 57.07 56.78 1aun s TYR 86 Cb -0.11 0.40 0.08 0.00 0.38 0.00 0.00 41.96 42.71 1aun s TYR 86 CO 0.10 -0.76 0.39 0.00 -1.52 0.00 0.00 175.55 173.76 1aun s ALA 87 N -3.70 -1.05 0.07 9.51 0.00 0.24 -2.26 121.76 124.55 1aun s ALA 87 Ca 0.02 1.42 -0.03 0.00 0.00 0.00 0.00 51.96 53.36 1aun s ALA 87 Cb 0.00 -1.24 -0.05 0.00 0.00 0.00 0.00 23.12 21.83 1aun s ALA 87 CO -0.12 -0.70 0.27 -0.51 0.00 0.00 0.00 175.76 174.70 1aun s LEU 88 N 2.48 4.33 -1.35 0.00 1.43 0.06 -0.68 118.68 124.94 1aun s LEU 88 Ca -0.02 0.43 -0.05 0.00 -1.03 0.00 0.00 54.13 53.46 1aun s LEU 88 Cb -0.12 -2.99 0.02 0.00 0.03 0.00 0.00 46.19 43.14 1aun s LEU 88 CO -0.12 0.16 0.95 0.59 0.23 0.00 0.00 176.35 178.15 1aun n ASN 89 N 0.44 -3.42 -2.94 2.29 4.13 -1.21 -3.05 115.26 111.50 1aun n ASN 89 Ca -0.06 -0.70 -0.12 0.00 1.68 0.00 0.00 54.58 55.38 1aun n ASN 89 Cb 0.52 -4.47 0.07 0.00 -1.54 0.00 0.00 39.78 34.36 1aun n ASN 89 CO 0.00 0.00 0.00 0.00 0.28 0.00 0.00 177.26 177.54 1aun n GLN 90 N -4.51 -0.22 -1.44 3.52 1.13 0.11 -4.75 117.38 111.23 1aun n GLN 90 Ca -0.14 -1.01 -0.46 0.00 -1.94 0.00 0.00 57.00 53.45 1aun n GLN 90 Cb 0.61 -0.47 -0.02 0.00 0.11 0.00 0.00 30.24 30.47 1aun n GLN 90 CO 0.00 0.00 0.00 0.34 -1.44 0.00 0.00 177.06 175.96 1aun n PHE 91 N -2.49 -0.25 -2.82 1.08 7.35 -1.26 -2.27 117.46 116.80 1aun n PHE 91 Ca 0.07 0.83 -0.22 0.00 -0.76 0.00 0.00 57.45 57.37 1aun n PHE 91 Cb 0.25 -2.01 0.02 0.00 0.35 0.00 0.00 39.48 38.09 1aun n PHE 91 CO 0.00 0.00 0.00 -1.13 -0.76 0.00 0.00 176.76 174.87 1aun n SER 92 N 1.77 -6.09 -3.64 -2.13 3.41 -1.26 -3.26 113.62 102.43 1aun n SER 92 Ca 0.15 -0.20 -0.23 0.00 -0.26 0.00 0.00 58.87 58.33 1aun n SER 92 Cb 0.30 -4.96 0.06 0.00 -0.26 0.00 0.00 64.21 59.35 1aun n SER 92 CO 0.00 0.00 0.00 -3.20 -0.16 0.00 0.00 175.04 171.68 1aun n ASN 93 N -2.37 -3.63 -4.27 4.04 5.15 -0.96 -4.95 115.26 108.27 1aun n ASN 93 Ca -0.16 -0.68 -0.25 0.00 -0.60 0.00 0.00 54.58 52.89 1aun n ASN 93 Cb 0.64 -4.59 -0.14 0.00 -0.53 0.00 0.00 39.78 35.16 1aun n ASN 93 CO 0.00 0.00 0.00 -0.76 1.40 0.00 0.00 177.26 177.90 1aun s LEU 94 N -6.90 2.21 -0.13 1.20 1.43 -1.11 -0.96 118.68 114.43 1aun s LEU 94 Ca 0.30 -0.58 -0.12 0.00 -1.03 0.00 0.00 54.13 52.70 1aun s LEU 94 Cb -0.14 -0.97 -0.05 0.00 0.03 0.00 0.00 46.19 45.06 1aun s LEU 94 CO 0.77 0.13 0.26 -1.81 0.23 0.00 0.00 176.35 175.93 1aun s ASP 95 N -1.42 6.46 -0.12 2.29 1.01 0.17 0.09 116.67 125.15 1aun s ASP 95 Ca 0.08 0.54 -0.00 0.00 0.71 0.00 0.00 52.55 53.88 1aun s ASP 95 Cb -0.09 -2.16 -0.02 0.00 1.01 0.00 0.00 42.92 41.66 1aun s ASP 95 CO 0.03 0.22 -0.12 -0.36 0.21 0.00 0.00 175.17 175.15 1aun s PHE 96 N -0.18 2.84 0.15 4.23 0.40 0.14 -2.44 117.98 123.12 1aun s PHE 96 Ca 0.16 -0.52 -0.12 0.00 -0.60 0.00 0.00 56.93 55.85 1aun s PHE 96 Cb -0.13 -1.83 0.01 0.00 0.51 0.00 0.00 43.02 41.57 1aun s PHE 96 CO 0.05 -0.12 0.34 1.67 0.70 0.00 0.00 175.22 177.86 1aun s TRP 97 N 0.20 0.14 0.12 0.36 1.48 -0.40 -0.60 118.94 120.24 1aun s TRP 97 Ca -0.07 -0.50 -0.25 0.00 -1.06 0.00 0.00 56.10 54.22 1aun s TRP 97 Cb -0.15 0.10 0.08 0.00 -1.16 0.00 0.00 33.47 32.34 1aun s TRP 97 CO 0.05 -0.73 1.07 0.16 -4.06 0.00 0.00 176.95 173.43 1aun s ASP 98 N -2.90 -0.09 -0.06 -2.66 1.47 -0.29 -1.63 116.67 110.51 1aun s ASP 98 Ca 0.11 -0.42 0.03 0.00 1.18 0.00 0.00 52.55 53.46 1aun s ASP 98 Cb 0.02 0.41 -0.02 0.00 -0.34 0.00 0.00 42.92 42.99 1aun s ASP 98 CO -0.05 -0.77 -0.15 -0.63 0.68 0.00 0.00 175.17 174.25 1aun s ILE 99 N -2.72 2.97 -0.01 2.11 1.01 -1.26 -0.45 121.20 122.85 1aun s ILE 99 Ca 0.16 -0.75 0.02 0.00 0.00 0.00 0.00 60.65 60.08 1aun s ILE 99 Cb -0.00 -2.16 -0.00 0.00 0.01 0.00 0.00 42.46 40.30 1aun s ILE 99 CO 0.02 0.58 -0.07 -0.55 0.00 0.00 0.00 174.94 174.92 1aun s SER 100 N -0.55 0.84 -0.14 3.58 0.15 0.88 -1.52 113.70 116.94 1aun s SER 100 Ca 0.08 -0.13 0.18 0.00 0.70 0.00 0.00 55.95 56.78 1aun s SER 100 Cb -0.11 -0.11 0.36 0.00 -1.71 0.00 0.00 66.02 64.45 1aun s SER 100 CO 0.01 0.08 1.24 1.33 1.20 0.00 0.00 173.24 177.10 1aun n VAL 101 N 2.96 2.00 -0.05 4.45 0.24 -0.44 -1.65 118.33 125.85 1aun n VAL 101 Ca -0.14 -2.12 0.02 0.00 -2.04 0.00 0.00 64.34 60.06 1aun n VAL 101 Cb 0.57 -0.23 0.34 0.00 -1.47 0.00 0.00 33.84 33.05 1aun n VAL 101 CO 0.00 0.00 0.00 0.40 -2.14 0.00 0.00 176.83 175.09 1aun h ILE 102 N 0.59 1.16 -0.89 1.34 2.04 -1.80 -0.56 117.51 119.38 1aun h ILE 102 Ca 0.00 -0.44 -0.49 0.00 1.00 0.00 0.00 64.86 64.92 1aun h ILE 102 Cb 1.13 0.58 -0.28 0.00 -0.74 0.00 0.00 36.82 37.51 1aun h ILE 102 CO 0.07 0.18 0.54 0.47 0.00 0.00 0.00 178.15 179.42 1aun n ASP 103 N -4.39 4.20 0.00 1.72 9.92 -1.26 -4.61 116.55 122.13 1aun n ASP 103 Ca 0.04 -3.67 0.00 0.00 -0.53 0.00 0.00 54.79 50.62 1aun n ASP 103 Cb 0.12 -0.82 0.00 0.00 -0.64 0.00 0.00 41.12 39.78 1aun n ASP 103 CO 0.00 0.00 0.00 0.61 0.13 0.00 0.00 177.20 177.94 1aun n GLY 104 N -1.10 -2.57 2.94 0.44 0.00 -0.22 -1.47 105.19 103.22 1aun n GLY 104 Ca 0.56 -1.68 -0.19 0.00 0.00 0.00 0.00 46.02 44.72 1aun n GLY 104 CO 0.00 0.00 0.00 -0.12 0.00 0.00 0.00 173.32 173.20 1aun s PHE 105 N -0.64 0.69 0.00 1.61 2.19 -0.23 -3.42 117.98 118.18 1aun s PHE 105 Ca 0.00 -0.16 0.00 0.00 0.33 0.00 0.00 56.93 57.10 1aun s PHE 105 Cb 0.00 -0.53 0.00 0.00 -1.31 0.00 0.00 43.02 41.18 1aun s PHE 105 CO 0.00 -0.10 0.00 0.27 1.83 0.00 0.00 175.22 177.22 1aun n ASN 106 N 3.45 1.43 -4.11 6.13 2.04 -1.26 -0.92 115.26 122.02 1aun n ASN 106 Ca -0.19 0.00 -0.23 0.00 -0.44 0.00 0.00 54.58 53.72 1aun n ASN 106 Cb 0.54 0.00 -0.15 0.00 -2.53 0.00 0.00 39.78 37.64 1aun n ASN 106 CO 0.00 0.00 0.00 -0.63 -0.44 0.00 0.00 177.26 176.19 1aun s ILE 107 N -1.61 1.14 0.33 1.53 1.01 -1.26 -4.79 121.20 117.54 1aun s ILE 107 Ca 0.00 -0.61 -0.28 0.00 0.00 0.00 0.00 60.65 59.76 1aun s ILE 107 Cb 0.00 -0.95 -0.09 0.00 0.01 0.00 0.00 42.46 41.43 1aun s ILE 107 CO 0.00 0.32 1.16 -2.16 0.00 0.00 0.00 174.94 174.26 1aun s PRO 108 N -0.33 4.41 0.08 2.79 0.04 -1.26 -4.70 135.00 136.03 1aun s PRO 108 Ca 0.05 1.89 -0.13 0.00 0.04 0.00 0.00 61.00 62.86 1aun s PRO 108 Cb -0.06 -3.00 0.02 0.00 0.04 0.00 0.00 34.50 31.50 1aun s PRO 108 CO -0.01 -0.02 0.29 0.00 0.04 0.00 0.00 177.00 177.30 1aun s MET 109 N -1.79 0.88 0.19 4.56 0.23 -0.74 -0.83 119.30 121.80 1aun s MET 109 Ca 0.49 -0.69 0.11 0.00 -1.03 0.00 0.00 55.69 54.57 1aun s MET 109 Cb -0.33 0.38 -0.04 0.00 -1.53 0.00 0.00 34.83 33.30 1aun s MET 109 CO 0.42 -0.30 -0.23 -1.54 -2.03 0.00 0.00 175.02 171.35 1aun s SER 110 N -2.48 3.32 -0.13 -1.18 1.04 -0.62 -1.27 113.70 112.38 1aun s SER 110 Ca -0.00 -0.87 -0.08 0.00 0.48 0.00 0.00 55.95 55.48 1aun s SER 110 Cb 0.02 -0.24 0.05 0.00 0.10 0.00 0.00 66.02 65.94 1aun s SER 110 CO -0.08 0.10 0.31 0.12 0.98 0.00 0.00 173.24 174.67 1aun s PHE 111 N -1.73 -0.41 0.00 5.02 5.36 -0.44 -1.59 117.98 124.18 1aun s PHE 111 Ca 0.20 0.95 -0.30 0.00 -0.96 0.00 0.00 56.93 56.82 1aun s PHE 111 Cb -0.08 0.13 0.11 0.00 -0.34 0.00 0.00 43.02 42.85 1aun s PHE 111 CO 0.09 -0.24 1.19 0.20 -1.46 0.00 0.00 175.22 175.00 1aun s GLY 112 N 0.97 -0.36 0.46 13.12 0.00 -0.81 -0.90 107.32 119.79 1aun s GLY 112 Ca -0.07 0.69 -0.20 0.00 0.00 0.00 0.00 44.72 45.15 1aun s GLY 112 CO -0.07 0.15 0.97 2.56 0.00 0.00 0.00 173.10 176.72 1aun s PRO 113 N -2.65 4.08 0.12 2.90 0.04 -1.26 -1.11 135.00 137.13 1aun s PRO 113 Ca 0.13 1.12 0.08 0.00 0.04 0.00 0.00 61.00 62.36 1aun s PRO 113 Cb 0.03 -2.15 -0.19 0.00 0.04 0.00 0.00 34.50 32.22 1aun s PRO 113 CO -0.03 -0.16 1.26 1.79 0.04 0.00 0.00 177.00 179.90 1aun h THR 114 N 1.59 1.60 -3.54 1.26 1.35 -1.53 -3.40 112.91 110.24 1aun h THR 114 Ca -0.48 -3.28 -0.65 0.00 -0.55 0.00 0.00 66.41 61.44 1aun h THR 114 Cb 1.19 2.79 -0.40 0.00 -1.73 0.00 0.00 68.15 69.99 1aun h THR 114 CO 0.61 0.91 -0.70 -0.75 -0.25 0.00 0.00 175.52 175.34 1aun s LYS 115 N -2.72 1.57 0.86 4.72 2.20 -1.26 -4.98 119.74 120.12 1aun s LYS 115 Ca 0.01 -2.06 -0.11 0.00 -0.36 0.00 0.00 55.97 53.45 1aun s LYS 115 Cb 0.10 -3.13 0.11 0.00 -1.51 0.00 0.00 37.83 33.40 1aun s LYS 115 CO 0.81 -1.00 1.10 -1.25 -0.36 0.00 0.00 175.35 174.65 1aun s PRO 116 N 0.57 1.52 0.00 4.03 0.04 -1.26 -4.71 135.00 135.18 1aun s PRO 116 Ca 0.13 1.15 0.00 0.00 0.04 0.00 0.00 61.00 62.32 1aun s PRO 116 Cb -0.21 -1.81 0.00 0.00 0.04 0.00 0.00 34.50 32.51 1aun s PRO 116 CO -0.06 -2.16 0.00 0.41 0.04 0.00 0.00 177.00 175.23 1aun n GLY 117 N -0.73 3.98 3.80 0.56 0.00 -0.54 -5.06 105.19 107.20 1aun n GLY 117 Ca 0.09 -1.59 -0.29 0.00 0.00 0.00 0.00 46.02 44.23 1aun n GLY 117 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aun s PRO 118 N -1.73 1.75 7.74 1.61 0.04 -1.26 -4.39 135.00 138.76 1aun s PRO 118 Ca 0.00 0.49 0.00 0.00 0.04 0.00 0.00 61.00 61.53 1aun s PRO 118 Cb 0.00 -1.89 0.00 0.00 0.04 0.00 0.00 34.50 32.65 1aun s PRO 118 CO 0.00 -1.82 0.00 0.41 0.04 0.00 0.00 177.00 175.63 1aun n GLY 119 N -2.19 3.09 0.48 0.56 0.00 -1.26 -3.14 105.19 102.72 1aun n GLY 119 Ca 0.07 -0.19 0.13 0.00 0.00 0.00 0.00 46.02 46.03 1aun n GLY 119 CO 0.00 0.00 0.00 0.28 0.00 0.00 0.00 173.32 173.60 1aun n LYS 120 N 13.14 1.65 -2.23 1.61 5.02 -1.26 -4.68 118.16 131.40 1aun n LYS 120 Ca 0.00 -0.95 -0.43 0.00 -2.02 0.00 0.00 58.31 54.91 1aun n LYS 120 Cb 0.00 -1.45 0.00 0.00 -0.02 0.00 0.00 35.03 33.56 1aun n LYS 120 CO 0.00 0.00 0.00 0.00 -0.52 0.00 0.00 177.40 176.88 1aun s HIS 122 N 3.10 -0.00 0.45 0.00 -3.43 -1.26 -1.46 115.29 112.68 1aun s HIS 122 Ca 0.48 -0.36 -0.24 0.00 -0.80 0.00 0.00 55.06 54.14 1aun s HIS 122 Cb 0.08 0.13 -0.08 0.00 -1.43 0.00 0.00 32.58 31.29 1aun s HIS 122 CO -0.01 -0.68 1.25 0.20 -2.00 0.00 0.00 174.74 173.50 1aun s GLY 123 N -2.85 2.86 0.32 -1.38 0.00 -1.26 -4.69 107.32 100.32 1aun s GLY 123 Ca 0.06 1.11 0.03 0.00 0.00 0.00 0.00 44.72 45.92 1aun s GLY 123 CO -0.09 1.63 0.09 -0.26 0.00 0.00 0.00 173.10 174.47 1aun s ILE 124 N -1.39 0.84 0.22 0.90 -4.36 -0.08 -4.99 121.20 112.34 1aun s ILE 124 Ca 0.62 -2.00 -0.22 0.00 -0.26 0.00 0.00 60.65 58.79 1aun s ILE 124 Cb -0.34 -2.65 0.04 0.00 1.25 0.00 0.00 42.46 40.76 1aun s ILE 124 CO 0.42 0.00 0.66 0.00 0.24 0.00 0.00 174.94 176.26 1aun s GLN 125 N -3.90 1.54 -0.36 0.37 -2.07 -1.26 -1.33 119.66 112.65 1aun s GLN 125 Ca 0.35 -0.75 0.02 0.00 -1.82 0.00 0.00 55.36 53.16 1aun s GLN 125 Cb 0.07 0.60 0.15 0.00 -1.09 0.00 0.00 33.01 32.74 1aun s GLN 125 CO 0.15 -0.69 0.33 0.00 -1.32 0.00 0.00 175.29 173.75 1aun n THR 127 N 4.25 0.97 -1.41 0.00 -2.24 -1.26 -1.79 114.28 112.80 1aun n THR 127 Ca 0.11 -1.03 -0.33 0.00 -2.27 0.00 0.00 64.05 60.52 1aun n THR 127 Cb 0.43 0.45 0.09 0.00 -2.10 0.00 0.00 70.33 69.20 1aun n THR 127 CO 0.00 0.00 0.00 0.00 -0.57 0.00 0.00 175.07 174.50 1aun s ALA 128 N -1.13 2.13 -1.28 6.98 0.00 -1.26 -4.85 121.76 122.34 1aun s ALA 128 Ca 0.05 0.72 -0.12 0.00 0.00 0.00 0.00 51.96 52.61 1aun s ALA 128 Cb 0.05 -3.42 -0.06 0.00 0.00 0.00 0.00 23.12 19.69 1aun s ALA 128 CO 0.00 -1.84 2.40 -1.71 0.00 0.00 0.00 175.76 174.62 1aun n ASN 129 N -2.89 5.51 -0.21 0.00 4.05 -1.26 -4.63 115.26 115.84 1aun n ASN 129 Ca 0.12 -2.61 -0.06 0.00 0.45 0.00 0.00 54.58 52.48 1aun n ASN 129 Cb 0.51 -1.41 0.09 0.00 1.23 0.00 0.00 39.78 40.20 1aun n ASN 129 CO 0.00 0.00 0.00 0.40 -3.05 0.00 0.00 177.26 174.61 1aun h ILE 130 N 3.62 1.25 -0.48 -1.44 2.04 -1.97 -2.40 117.51 118.14 1aun h ILE 130 Ca 0.63 -0.97 -0.07 0.00 1.00 0.00 0.00 64.86 65.45 1aun h ILE 130 Cb 0.42 0.63 -0.02 0.00 -0.74 0.00 0.00 36.82 37.11 1aun h ILE 130 CO 1.77 0.37 0.00 0.78 0.00 0.00 0.00 178.15 181.07 1aun h ASN 131 N 0.97 0.75 0.96 1.72 -0.26 -1.92 0.22 115.58 118.02 1aun h ASN 131 Ca 0.20 -0.18 -0.19 0.00 -0.56 0.00 0.00 56.30 55.56 1aun h ASN 131 Cb 0.39 -0.20 -0.03 0.00 -1.06 0.00 0.00 38.32 37.43 1aun h ASN 131 CO 0.01 0.82 -0.93 1.23 -1.06 0.00 0.00 177.43 177.50 1aun h GLY 132 N 0.97 0.00 -0.82 2.83 0.00 -1.91 -3.29 103.07 100.85 1aun h GLY 132 Ca 0.14 0.00 0.00 0.00 0.00 0.00 0.00 47.33 47.47 1aun h GLY 132 CO 0.02 0.00 -0.46 1.18 0.00 0.00 0.00 176.54 177.28 1aun n GLU 133 N -3.42 1.14 -1.58 4.80 1.02 -0.92 -5.01 120.64 116.68 1aun n GLU 133 Ca -0.00 -0.92 -0.52 0.00 -0.02 0.00 0.00 57.16 55.71 1aun n GLU 133 Cb 0.88 -1.48 -0.06 0.00 -0.02 0.00 0.00 31.44 30.77 1aun n GLU 133 CO 0.00 0.00 0.00 0.00 1.18 0.00 0.00 177.13 178.31 1aun s PRO 135 N 0.19 4.13 0.40 0.00 0.02 -1.26 -4.77 135.00 133.71 1aun s PRO 135 Ca 0.82 2.55 0.19 0.00 0.02 0.00 0.00 61.00 64.58 1aun s PRO 135 Cb -0.95 -2.99 1.13 0.00 0.02 0.00 0.00 34.50 31.71 1aun s PRO 135 CO 0.49 -0.53 1.77 0.78 -0.33 0.00 0.00 177.00 179.18 1aun h GLY 136 N 3.42 1.17 2.00 0.52 0.00 -1.95 -0.14 103.07 108.08 1aun h GLY 136 Ca -0.50 -0.19 -0.07 0.00 0.00 0.00 0.00 47.33 46.56 1aun h GLY 136 CO 0.67 -0.14 -0.35 1.48 0.00 0.00 0.00 176.54 178.20 1aun h SER 137 N 0.37 0.00 0.04 0.19 4.64 -2.01 -3.14 113.55 113.64 1aun h SER 137 Ca 0.60 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.92 1aun h SER 137 Cb 1.56 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 63.65 1aun h SER 137 CO -0.29 0.35 -1.22 0.18 -0.87 0.00 0.00 176.83 174.98 1aun n LEU 138 N -3.80 0.73 -4.69 5.97 4.77 -0.16 -4.97 117.00 114.85 1aun n LEU 138 Ca -0.01 -0.34 -0.42 0.00 -0.03 0.00 0.00 56.01 55.20 1aun n LEU 138 Cb 0.43 -0.01 -0.03 0.00 -2.33 0.00 0.00 43.42 41.48 1aun n LEU 138 CO 0.37 0.18 1.30 -0.60 -1.33 0.00 0.00 177.39 177.30 1aun s ARG 139 N -3.13 4.21 0.17 3.23 3.52 -0.64 -0.55 118.95 125.76 1aun s ARG 139 Ca 0.04 2.27 0.02 0.00 -0.13 0.00 0.00 55.73 57.93 1aun s ARG 139 Cb 0.15 -3.61 -0.05 0.00 -1.56 0.00 0.00 34.95 29.89 1aun s ARG 139 CO 0.87 -0.71 0.01 0.14 -0.81 0.00 0.00 175.30 174.79 1aun s VAL 140 N 2.66 0.62 0.04 7.11 -7.23 -1.06 -4.94 120.40 117.61 1aun s VAL 140 Ca 0.72 -1.97 -0.32 0.00 -1.81 0.00 0.00 61.98 58.60 1aun s VAL 140 Cb -0.38 -2.12 -0.11 0.00 0.56 0.00 0.00 36.38 34.32 1aun s VAL 140 CO 0.31 -0.47 1.84 -2.65 -0.31 0.00 0.00 175.10 173.83 1aun n PRO 141 N -0.23 2.51 -1.20 4.82 -0.02 -1.26 -1.98 135.00 137.64 1aun n PRO 141 Ca -0.06 0.92 -0.07 0.00 -2.02 0.00 0.00 63.50 62.27 1aun n PRO 141 Cb 0.63 -2.79 -0.03 0.00 -0.02 0.00 0.00 33.50 31.29 1aun n PRO 141 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1aun n GLY 142 N 4.23 0.82 2.27 -1.23 0.00 -1.26 -4.81 105.19 105.22 1aun n GLY 142 Ca 0.20 -0.24 -0.03 0.00 0.00 0.00 0.00 46.02 45.95 1aun n GLY 142 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aun n GLY 143 N -1.05 1.09 2.73 -0.02 0.00 -0.84 -4.61 105.19 102.49 1aun n GLY 143 Ca -0.07 -1.10 -0.20 0.00 0.00 0.00 0.00 46.02 44.65 1aun n GLY 143 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 1aun s ASN 145 N 2.27 6.49 0.31 0.00 0.01 0.28 -1.07 114.94 123.23 1aun s ASN 145 Ca 0.05 1.89 -0.27 0.00 -0.71 0.00 0.00 52.86 53.82 1aun s ASN 145 Cb -0.15 -2.56 -0.10 0.00 0.41 0.00 0.00 41.25 38.86 1aun s ASN 145 CO -0.10 -0.68 0.95 0.21 -1.51 0.00 0.00 177.10 175.97 1aun s ASN 146 N -1.98 7.38 0.58 -1.22 2.47 -1.26 -4.77 114.94 116.13 1aun s ASN 146 Ca 0.66 1.88 0.28 0.00 0.42 0.00 0.00 52.86 56.10 1aun s ASN 146 Cb -0.15 -2.59 1.50 0.00 -1.45 0.00 0.00 41.25 38.56 1aun s ASN 146 CO 0.19 -0.04 1.94 1.55 -3.72 0.00 0.00 177.10 177.03 1aun h PRO 147 N 3.39 0.00 -0.02 0.43 0.13 -1.93 0.79 132.00 134.79 1aun h PRO 147 Ca -0.46 0.00 -0.07 0.00 -0.87 0.00 0.00 66.00 64.60 1aun h PRO 147 Cb 1.19 0.00 -0.01 0.00 0.13 0.00 0.00 31.00 32.32 1aun h PRO 147 CO 0.66 0.00 -0.30 0.00 -0.23 0.00 0.00 178.00 178.13 1aun h THR 149 N 0.03 1.49 -0.06 0.00 2.02 -1.15 -2.54 112.91 112.69 1aun h THR 149 Ca 0.00 -2.55 -0.03 0.00 0.77 0.00 0.00 66.41 64.60 1aun h THR 149 Cb 0.54 3.18 -0.00 0.00 -1.74 0.00 0.00 68.15 70.13 1aun h THR 149 CO 0.04 0.73 -0.09 0.74 0.37 0.00 0.00 175.52 177.31 1aun h THR 150 N -0.30 1.39 0.00 3.16 2.02 -1.25 -3.40 112.91 114.53 1aun h THR 150 Ca -0.15 -1.31 -0.27 0.00 0.77 0.00 0.00 66.41 65.44 1aun h THR 150 Cb 1.70 2.11 -0.05 0.00 -1.74 0.00 0.00 68.15 70.17 1aun h THR 150 CO 0.17 0.36 -2.03 0.49 0.37 0.00 0.00 175.52 174.87 1aun n PHE 151 N -4.69 0.00 -4.18 3.16 3.72 0.34 -5.10 117.46 110.71 1aun n PHE 151 Ca -0.08 0.00 0.00 0.00 -0.05 0.00 0.00 57.45 57.32 1aun n PHE 151 Cb 0.33 -0.72 0.00 0.00 -0.94 0.00 0.00 39.48 38.15 1aun n PHE 151 CO 0.00 0.00 0.00 0.41 -0.05 0.00 0.00 176.76 177.12 1aun n GLY 152 N 2.35 -1.65 0.00 1.37 0.00 -0.96 -5.03 105.19 101.28 1aun n GLY 152 Ca -0.28 -1.31 0.00 0.00 0.00 0.00 0.00 46.02 44.42 1aun n GLY 152 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1aun n GLY 153 N 0.00 -0.66 0.29 -0.02 0.00 -1.26 -4.39 105.19 99.15 1aun n GLY 153 Ca 0.00 -1.63 -0.01 0.00 0.00 0.00 0.00 46.02 44.38 1aun n GLY 153 CO 0.00 0.00 0.00 -1.61 0.00 0.00 0.00 173.32 171.71 1aun h GLN 154 N 0.00 0.83 -0.91 1.61 5.75 -1.98 0.22 115.11 120.64 1aun h GLN 154 Ca 0.00 -0.05 0.19 0.00 -0.15 0.00 0.00 58.65 58.64 1aun h GLN 154 Cb 0.00 -0.19 -0.07 0.00 1.07 0.00 0.00 27.48 28.29 1aun h GLN 154 CO 0.00 0.55 0.59 0.37 -2.65 0.00 0.00 178.83 177.69 1aun h GLN 155 N 0.86 0.51 0.00 1.69 4.15 -1.98 -0.43 115.11 119.92 1aun h GLN 155 Ca 0.33 -0.03 -0.19 0.00 0.77 0.00 0.00 58.65 59.53 1aun h GLN 155 Cb 0.14 -0.12 -0.04 0.00 0.21 0.00 0.00 27.48 27.68 1aun h GLN 155 CO -0.16 0.34 -1.76 0.66 -1.93 0.00 0.00 178.83 175.97 1aun n TYR 156 N -4.56 0.00 0.19 3.99 4.01 -1.02 -4.71 117.16 115.06 1aun n TYR 156 Ca 0.19 0.00 0.11 0.00 -0.16 0.00 0.00 57.90 58.04 1aun n TYR 156 Cb 0.62 -0.54 -0.13 0.00 -0.31 0.00 0.00 39.34 38.98 1aun n TYR 156 CO 0.00 0.00 0.00 0.00 -0.46 0.00 0.00 176.86 176.40 1aun h THR 159 N -0.61 0.67 -0.43 0.00 1.35 -1.87 -3.29 112.91 108.73 1aun h THR 159 Ca -0.43 -1.79 0.00 0.00 -0.55 0.00 0.00 66.41 63.64 1aun h THR 159 Cb 1.30 2.21 0.00 0.00 -1.73 0.00 0.00 68.15 69.93 1aun h THR 159 CO 0.50 0.36 0.00 0.00 -0.25 0.00 0.00 175.52 176.13 1aun n GLN 160 N -3.25 2.19 0.00 4.72 6.02 -1.26 -5.06 117.38 120.74 1aun n GLN 160 Ca 0.02 -1.83 0.00 0.00 -0.01 0.00 0.00 57.00 55.18 1aun n GLN 160 Cb 0.63 -1.43 0.00 0.00 1.02 0.00 0.00 30.24 30.46 1aun n GLN 160 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1aun n GLY 161 N 1.34 0.85 3.63 1.08 0.00 -1.24 -5.09 105.19 105.76 1aun n GLY 161 Ca 0.18 -1.99 -0.45 0.00 0.00 0.00 0.00 46.02 43.76 1aun n GLY 161 CO 0.00 0.00 0.00 -1.05 0.00 0.00 0.00 173.32 172.27 1aun n PRO 162 N 0.00 1.69 -4.13 1.61 -0.02 -1.26 -4.77 135.00 128.12 1aun n PRO 162 Ca 0.00 0.60 -0.11 0.00 -2.02 0.00 0.00 63.50 61.97 1aun n PRO 162 Cb 0.00 -2.12 -0.09 0.00 -0.02 0.00 0.00 33.50 31.27 1aun n PRO 162 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 1aun n GLY 164 N -0.23 3.42 3.76 0.00 0.00 -1.26 -4.90 105.19 105.98 1aun n GLY 164 Ca -0.02 -1.98 -0.37 0.00 0.00 0.00 0.00 46.02 43.66 1aun n GLY 164 CO 0.00 0.00 0.00 2.56 0.00 0.00 0.00 173.32 175.88 1aun s PRO 165 N -3.04 3.43 0.44 1.61 0.04 -1.26 -4.98 135.00 131.24 1aun s PRO 165 Ca 0.19 1.86 0.06 0.00 0.04 0.00 0.00 61.00 63.15 1aun s PRO 165 Cb 0.01 -2.24 -0.05 0.00 0.04 0.00 0.00 34.50 32.26 1aun s PRO 165 CO 0.13 -0.85 0.10 0.95 0.04 0.00 0.00 177.00 177.37 1aun s THR 166 N -1.53 1.93 0.29 1.26 -4.23 -1.26 -4.98 115.64 107.12 1aun s THR 166 Ca 0.69 -1.86 -0.01 0.00 -1.18 0.00 0.00 61.69 59.33 1aun s THR 166 Cb -0.31 -2.79 0.27 0.00 1.34 0.00 0.00 72.50 71.02 1aun s THR 166 CO 0.36 0.00 1.92 -0.08 -0.54 0.00 0.00 174.62 176.28 1aun h GLU 167 N 1.50 1.09 -0.15 3.99 4.81 -1.99 -1.02 114.58 122.81 1aun h GLU 167 Ca -0.43 -0.07 -0.21 0.00 -0.13 0.00 0.00 59.36 58.53 1aun h GLU 167 Cb 1.26 -0.25 0.01 0.00 0.63 0.00 0.00 28.75 30.41 1aun h GLU 167 CO 0.74 0.72 -0.71 -0.07 -0.73 0.00 0.00 179.01 178.96 1aun h LEU 168 N 1.12 0.88 -0.88 1.64 3.38 -2.00 -2.47 115.31 116.99 1aun h LEU 168 Ca 0.38 -0.63 -0.09 0.00 0.09 0.00 0.00 57.88 57.64 1aun h LEU 168 Cb 0.09 -0.26 -0.02 0.00 0.09 0.00 0.00 40.66 40.56 1aun h LEU 168 CO -0.13 1.37 -0.10 0.77 0.09 0.00 0.00 178.44 180.44 1aun h SER 169 N 0.46 0.70 -0.16 -0.43 4.64 -1.79 -2.00 113.55 114.97 1aun h SER 169 Ca -0.05 -0.20 -0.02 0.00 -0.47 0.00 0.00 61.79 61.05 1aun h SER 169 Cb 1.35 -0.19 -0.01 0.00 -0.31 0.00 0.00 62.40 63.23 1aun h SER 169 CO 0.15 0.84 0.04 0.03 -0.87 0.00 0.00 176.83 177.01 1aun h ARG 170 N 0.66 0.34 -0.73 4.77 3.08 -1.14 0.06 114.38 121.42 1aun h ARG 170 Ca 0.12 -0.05 0.03 0.00 0.07 0.00 0.00 59.98 60.15 1aun h ARG 170 Cb 0.55 -0.06 -0.04 0.00 0.08 0.00 0.00 29.97 30.50 1aun h ARG 170 CO 0.03 0.34 0.46 2.35 -1.07 0.00 0.00 179.97 182.08 1aun h TRP 171 N 0.34 0.86 -0.06 3.04 7.01 -0.87 -0.31 115.95 125.96 1aun h TRP 171 Ca 0.08 0.02 -0.02 0.00 2.11 0.00 0.00 58.89 61.09 1aun h TRP 171 Cb 0.17 -0.28 -0.00 0.00 -2.10 0.00 0.00 29.16 26.94 1aun h TRP 171 CO 0.00 0.50 -0.04 0.74 -2.79 0.00 0.00 178.44 176.85 1aun h PHE 172 N 0.90 0.15 -0.51 2.65 0.04 -1.13 -3.24 116.94 115.80 1aun h PHE 172 Ca 0.29 -0.04 0.06 0.00 2.80 0.00 0.00 57.97 61.08 1aun h PHE 172 Cb 0.01 -0.03 -0.03 0.00 2.20 0.00 0.00 35.95 38.09 1aun h PHE 172 CO -0.04 0.54 0.34 -0.22 -0.60 0.00 0.00 178.31 178.34 1aun h LYS 173 N -0.29 0.43 -0.28 1.51 1.63 -0.66 0.38 116.57 119.28 1aun h LYS 173 Ca 0.01 -0.03 -0.10 0.00 -0.85 0.00 0.00 60.65 59.69 1aun h LYS 173 Cb 0.51 -0.10 -0.01 0.00 -0.60 0.00 0.00 32.23 32.03 1aun h LYS 173 CO 0.01 0.28 -0.25 1.96 -3.45 0.00 0.00 179.45 178.00 1aun h GLN 174 N 0.44 0.54 0.00 1.90 4.20 -1.10 -1.87 115.11 119.21 1aun h GLN 174 Ca 0.23 -0.21 -0.22 0.00 0.06 0.00 0.00 58.65 58.51 1aun h GLN 174 Cb 0.33 -0.03 -0.03 0.00 0.30 0.00 0.00 27.48 28.04 1aun h GLN 174 CO -0.06 0.75 -1.19 0.00 -0.67 0.00 0.00 178.83 177.65 1aun h ARG 175 N 0.48 0.00 -2.31 1.46 3.08 -1.25 -3.40 114.38 112.43 1aun h ARG 175 Ca 0.07 0.00 -0.58 0.00 0.07 0.00 0.00 59.98 59.53 1aun h ARG 175 Cb 0.68 0.00 -0.38 0.00 0.08 0.00 0.00 29.97 30.35 1aun h ARG 175 CO 0.05 0.70 -0.98 0.00 -1.07 0.00 0.00 179.97 178.66 1aun h PRO 177 N 5.24 0.00 -0.02 0.00 0.13 -1.57 -2.27 132.00 133.52 1aun h PRO 177 Ca 0.22 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.35 1aun h PRO 177 Cb 0.89 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.02 1aun h PRO 177 CO 0.41 0.00 -0.02 -0.25 -0.23 0.00 0.00 178.00 177.92 1aun n ASP 178 N -4.36 1.62 -4.84 1.44 8.00 -1.26 -4.82 116.55 112.33 1aun n ASP 178 Ca 0.09 -1.51 -0.27 0.00 0.71 0.00 0.00 54.79 53.81 1aun n ASP 178 Cb 0.58 0.01 -0.05 0.00 -0.02 0.00 0.00 41.12 41.64 1aun n ASP 178 CO 0.00 0.00 0.00 0.00 -0.39 0.00 0.00 177.20 176.81 1aun s ALA 179 N -2.03 3.70 -0.01 2.24 0.00 -0.86 -4.60 121.76 120.20 1aun s ALA 179 Ca 0.36 -1.13 -0.30 0.00 0.00 0.00 0.00 51.96 50.89 1aun s ALA 179 Cb 0.21 -1.51 -0.06 0.00 0.00 0.00 0.00 23.12 21.76 1aun s ALA 179 CO 0.34 0.55 1.51 0.71 0.00 0.00 0.00 175.76 178.87 1aun s TYR 180 N -1.70 2.54 -0.07 0.00 2.02 -0.57 -4.84 117.35 114.72 1aun s TYR 180 Ca 0.32 0.57 0.20 0.00 -0.37 0.00 0.00 57.07 57.78 1aun s TYR 180 Cb -0.11 -3.78 -0.30 0.00 -0.40 0.00 0.00 41.96 37.37 1aun s TYR 180 CO 0.25 -3.05 0.35 -1.13 -1.57 0.00 0.00 175.55 170.40 1aun n SER 181 N 5.96 0.28 -3.75 2.29 3.41 -1.26 -1.32 113.62 119.22 1aun n SER 181 Ca 0.15 0.00 -0.10 0.00 -0.26 0.00 0.00 58.87 58.66 1aun n SER 181 Cb 0.43 1.70 -0.05 0.00 -0.26 0.00 0.00 64.21 66.02 1aun n SER 181 CO 0.00 0.00 0.00 -0.72 -0.16 0.00 0.00 175.04 174.16 1aun s TYR 182 N -3.19 -0.02 0.39 7.33 1.13 -1.26 -4.58 117.35 117.15 1aun s TYR 182 Ca -0.08 -0.33 0.24 0.00 -1.41 0.00 0.00 57.07 55.49 1aun s TYR 182 Cb 0.11 0.15 1.35 0.00 -1.10 0.00 0.00 41.96 42.47 1aun s TYR 182 CO 0.84 -0.69 1.60 -1.35 -2.51 0.00 0.00 175.55 173.45 1aun h PRO 183 N 2.47 0.07 -0.74 -3.49 0.11 -1.89 -1.60 132.00 126.93 1aun h PRO 183 Ca -0.33 -0.00 -0.50 0.00 0.11 0.00 0.00 66.00 65.28 1aun h PRO 183 Cb 1.24 -0.02 -0.30 0.00 0.11 0.00 0.00 31.00 32.03 1aun h PRO 183 CO 0.48 0.05 -0.02 1.04 -0.21 0.00 0.00 178.00 179.34 1aun n GLN 184 N -5.00 2.81 -1.08 1.05 6.02 -1.26 -4.72 117.38 115.19 1aun n GLN 184 Ca 0.37 -3.59 -0.22 0.00 -0.01 0.00 0.00 57.00 53.55 1aun n GLN 184 Cb 1.32 -2.16 0.04 0.00 1.02 0.00 0.00 30.24 30.45 1aun n GLN 184 CO 0.00 0.00 0.00 -3.47 -1.01 0.00 0.00 177.06 172.58 1aun n ASP 185 N -0.90 6.76 0.02 1.08 2.03 -0.60 -4.76 116.55 120.17 1aun n ASP 185 Ca 0.48 -3.25 -0.13 0.00 0.52 0.00 0.00 54.79 52.41 1aun n ASP 185 Cb 0.92 -1.06 -0.08 0.00 -0.72 0.00 0.00 41.12 40.18 1aun n ASP 185 CO 0.00 0.00 0.00 0.44 -1.92 0.00 0.00 177.20 175.72 1aun h ASP 186 N 1.80 -0.02 -0.79 1.67 5.19 -1.86 -3.26 116.42 119.15 1aun h ASP 186 Ca 0.38 -0.22 0.16 0.00 -0.62 0.00 0.00 57.03 56.72 1aun h ASP 186 Cb 0.85 0.00 -0.05 0.00 0.18 0.00 0.00 39.33 40.31 1aun h ASP 186 CO 0.97 0.21 0.53 1.55 -3.12 0.00 0.00 179.24 179.38 1aun h PRO 187 N -0.25 0.43 -0.48 3.56 0.13 -1.97 -2.54 132.00 130.89 1aun h PRO 187 Ca -0.00 -0.03 0.00 0.00 -0.87 0.00 0.00 66.00 65.10 1aun h PRO 187 Cb 0.24 -0.10 0.00 0.00 0.13 0.00 0.00 31.00 31.27 1aun h PRO 187 CO 0.00 0.29 0.00 0.25 -0.23 0.00 0.00 178.00 178.31 1aun n THR 188 N -4.49 1.52 -0.12 1.56 -2.24 -1.26 -4.57 114.28 104.68 1aun n THR 188 Ca 0.15 -1.23 0.00 0.00 -2.27 0.00 0.00 64.05 60.70 1aun n THR 188 Cb 0.55 0.24 0.00 0.00 -2.10 0.00 0.00 70.33 69.02 1aun n THR 188 CO 0.00 0.00 0.00 -1.20 -0.57 0.00 0.00 175.07 173.30 1aun n SER 189 N 0.66 0.17 -4.71 3.42 7.64 -0.97 -4.60 113.62 115.24 1aun n SER 189 Ca 0.20 -0.50 -0.37 0.00 1.01 0.00 0.00 58.87 59.20 1aun n SER 189 Cb 0.69 0.42 -0.07 0.00 -1.01 0.00 0.00 64.21 64.24 1aun n SER 189 CO 0.00 0.00 0.00 -0.89 -3.01 0.00 0.00 175.04 171.14 1aun s THR 190 N -0.42 5.27 0.13 0.44 2.01 -1.11 -4.62 115.64 117.34 1aun s THR 190 Ca 0.00 0.61 0.10 0.00 0.31 0.00 0.00 61.69 62.71 1aun s THR 190 Cb 0.00 -3.67 -0.04 0.00 0.01 0.00 0.00 72.50 68.80 1aun s THR 190 CO 0.00 0.35 -0.25 -0.36 -0.69 0.00 0.00 174.62 173.67 1aun s PHE 191 N 0.72 2.18 0.05 4.92 0.40 -0.65 -5.01 117.98 120.59 1aun s PHE 191 Ca 0.18 -0.39 -0.02 0.00 -0.60 0.00 0.00 56.93 56.10 1aun s PHE 191 Cb -0.14 -1.17 -0.03 0.00 0.51 0.00 0.00 43.02 42.19 1aun s PHE 191 CO 0.05 0.32 -0.01 0.95 0.70 0.00 0.00 175.22 177.24 1aun s THR 192 N -1.17 0.19 -0.01 0.64 -4.23 -1.26 -1.28 115.64 108.54 1aun s THR 192 Ca 0.13 -1.60 -0.05 0.00 -1.18 0.00 0.00 61.69 58.99 1aun s THR 192 Cb -0.10 -1.29 0.00 0.00 1.34 0.00 0.00 72.50 72.45 1aun s THR 192 CO 0.06 -0.89 0.10 0.00 -0.54 0.00 0.00 174.62 173.35 1aun s THR 194 N -0.94 2.37 0.73 0.00 2.01 -1.26 -0.65 115.64 117.89 1aun s THR 194 Ca -0.10 0.30 -0.15 0.00 0.31 0.00 0.00 61.69 62.05 1aun s THR 194 Cb -0.06 -3.19 0.04 0.00 0.01 0.00 0.00 72.50 69.29 1aun s THR 194 CO 0.01 0.04 1.22 -0.44 -0.69 0.00 0.00 174.62 174.76 1aun s SER 195 N 0.55 4.18 -1.86 3.53 0.01 -0.13 -3.25 113.70 116.72 1aun s SER 195 Ca 0.63 2.41 0.00 0.00 1.31 0.00 0.00 55.95 60.30 1aun s SER 195 Cb -0.45 -2.59 0.00 0.00 0.21 0.00 0.00 66.02 63.19 1aun s SER 195 CO 0.43 -2.27 0.00 0.79 0.41 0.00 0.00 173.24 172.60 1aun n TRP 196 N -2.65 0.00 0.02 2.43 7.02 -1.26 -4.84 117.44 118.16 1aun n TRP 196 Ca 0.14 0.00 0.03 0.00 -1.02 0.00 0.00 57.50 56.65 1aun n TRP 196 Cb 0.50 -3.03 -0.05 0.00 -2.42 0.00 0.00 31.31 26.31 1aun n TRP 196 CO 0.00 0.00 0.00 0.25 -2.02 0.00 0.00 177.69 175.92 1aun n THR 197 N -2.48 0.00 -3.83 -0.99 -2.24 -1.20 -4.90 114.28 98.63 1aun n THR 197 Ca -0.18 -0.16 -0.09 0.00 -2.27 0.00 0.00 64.05 61.35 1aun n THR 197 Cb 0.58 0.42 -0.06 0.00 -2.10 0.00 0.00 70.33 69.17 1aun n THR 197 CO 0.00 0.00 0.00 0.28 -0.57 0.00 0.00 175.07 174.78 1aun s THR 198 N -2.34 0.08 0.48 4.28 -1.32 -1.26 -4.77 115.64 110.79 1aun s THR 198 Ca -0.02 -1.08 0.05 0.00 -1.21 0.00 0.00 61.69 59.43 1aun s THR 198 Cb 0.04 -1.52 0.05 0.00 -1.51 0.00 0.00 72.50 69.56 1aun s THR 198 CO 0.25 -0.38 0.42 0.47 -2.21 0.00 0.00 174.62 173.17 1aun n ASP 199 N -0.19 2.37 -4.16 8.08 8.00 -1.26 -4.07 116.55 125.33 1aun n ASP 199 Ca -0.12 -2.57 -0.11 0.00 0.71 0.00 0.00 54.79 52.71 1aun n ASP 199 Cb 0.63 -0.10 -0.10 0.00 -0.02 0.00 0.00 41.12 41.52 1aun n ASP 199 CO 0.00 0.00 0.00 -0.31 -0.39 0.00 0.00 177.20 176.50 1aun s TYR 200 N -2.30 0.86 -0.02 1.24 2.02 -0.20 -1.29 117.35 117.65 1aun s TYR 200 Ca 0.32 -0.90 0.00 0.00 -0.37 0.00 0.00 57.07 56.13 1aun s TYR 200 Cb -0.03 -0.50 0.02 0.00 -0.40 0.00 0.00 41.96 41.05 1aun s TYR 200 CO 0.20 -0.16 0.02 0.21 -1.57 0.00 0.00 175.55 174.25 1aun s LYS 201 N -3.70 0.06 -0.10 -0.62 2.36 -0.27 -1.70 119.74 115.78 1aun s LYS 201 Ca 0.10 0.12 0.03 0.00 -2.55 0.00 0.00 55.97 53.67 1aun s LYS 201 Cb 0.04 -0.26 -0.01 0.00 -1.05 0.00 0.00 37.83 36.55 1aun s LYS 201 CO -0.05 -0.12 -0.20 0.08 1.55 0.00 0.00 175.35 176.61 1aun s VAL 202 N 0.83 2.41 -0.07 4.02 1.01 0.59 -1.93 120.40 127.26 1aun s VAL 202 Ca -0.07 -0.91 0.03 0.00 0.00 0.00 0.00 61.98 61.03 1aun s VAL 202 Cb -0.10 -1.94 0.00 0.00 0.00 0.00 0.00 36.38 34.34 1aun s VAL 202 CO -0.02 0.55 -0.17 -0.04 0.00 0.00 0.00 175.10 175.43 1aun s MET 203 N 0.17 2.05 -0.09 2.72 -1.94 -0.62 -0.57 119.30 121.03 1aun s MET 203 Ca -0.12 -0.59 -0.17 0.00 -1.71 0.00 0.00 55.69 53.10 1aun s MET 203 Cb -0.16 -1.67 -0.05 0.00 2.01 0.00 0.00 34.83 34.96 1aun s MET 203 CO 0.06 0.14 0.45 -0.06 -0.01 0.00 0.00 175.02 175.60 1aun s PHE 204 N 0.37 3.57 -0.95 -0.03 0.08 0.07 -1.58 117.98 119.51 1aun s PHE 204 Ca -0.12 0.90 -0.09 0.00 0.12 0.00 0.00 56.93 57.74 1aun s PHE 204 Cb -0.15 -2.47 -0.01 0.00 -0.57 0.00 0.00 43.02 39.82 1aun s PHE 204 CO 0.04 0.30 0.75 0.00 -0.10 0.00 0.00 175.22 176.20 1aun h PRO 206 N -0.80 0.73 -0.32 0.00 0.11 -1.80 0.79 132.00 130.72 1aun h PRO 206 Ca -0.46 -0.04 0.00 0.00 0.11 0.00 0.00 66.00 65.61 1aun h PRO 206 Cb 1.26 -0.17 0.00 0.00 0.11 0.00 0.00 31.00 32.20 1aun h PRO 206 CO 0.40 0.48 0.00 0.66 -0.21 0.00 0.00 178.00 179.34 1aun n TYR 207 N -4.78 0.41 -0.88 0.65 4.01 -1.26 -5.06 117.16 110.26 1aun n TYR 207 Ca 0.20 -0.21 0.00 0.00 -0.16 0.00 0.00 57.90 57.74 1aun n TYR 207 Cb 0.49 0.00 0.00 0.00 -0.31 0.00 0.00 39.34 39.52 1aun n TYR 207 CO 0.00 0.00 0.00 0.41 -0.46 0.00 0.00 176.86 176.81