#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 2tun n PRO 8 N 0.00 0.00 -3.55 -2.82 -0.04 -1.26 -5.04 135.00 122.29 2tun n PRO 8 Ca 0.00 0.05 -0.11 0.00 -0.04 0.00 0.00 63.50 63.40 2tun n PRO 8 Cb 0.00 -0.77 -0.04 0.00 -0.04 0.00 0.00 33.50 32.64 2tun n PRO 8 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2tun s SER 9 N -1.56 -0.41 -0.53 3.54 0.15 -1.26 -5.07 113.70 108.57 2tun s SER 9 Ca 0.00 0.34 0.03 0.00 0.70 0.00 0.00 55.95 57.02 2tun s SER 9 Cb 0.00 0.36 0.41 0.00 -1.71 0.00 0.00 66.02 65.07 2tun s SER 9 CO 0.00 -0.45 1.33 -0.67 1.20 0.00 0.00 173.24 174.65 2tun n ASP 10 N 0.50 5.39 -4.14 5.45 -0.08 -1.26 -4.95 116.55 117.46 2tun n ASP 10 Ca -0.11 -3.75 -0.33 0.00 -1.51 0.00 0.00 54.79 49.09 2tun n ASP 10 Cb 0.59 -0.60 -0.16 0.00 2.34 0.00 0.00 41.12 43.30 2tun n ASP 10 CO 0.00 0.00 0.00 -0.75 0.12 0.00 0.00 177.20 176.57 2tun s LYS 11 N -3.67 2.89 -0.29 -0.67 2.20 -1.26 -5.07 119.74 113.88 2tun s LYS 11 Ca 0.49 -0.91 -0.42 0.00 -0.36 0.00 0.00 55.97 54.78 2tun s LYS 11 Cb 0.41 -2.70 -0.17 0.00 -1.51 0.00 0.00 37.83 33.86 2tun s LYS 11 CO -0.23 -0.28 1.61 -2.30 -0.36 0.00 0.00 175.35 173.79 2tun n PRO 12 N 4.61 0.71 -3.73 4.03 -0.02 -1.26 -4.78 135.00 134.57 2tun n PRO 12 Ca -0.19 0.26 -0.14 0.00 -2.02 0.00 0.00 63.50 61.41 2tun n PRO 12 Cb 0.49 -1.87 -0.09 0.00 -0.02 0.00 0.00 33.50 32.00 2tun n PRO 12 CO 0.00 0.00 0.00 0.54 1.98 0.00 0.00 175.50 178.02 2tun s VAL 13 N 2.81 0.02 -0.01 -1.45 0.11 -0.18 -0.92 120.40 120.78 2tun s VAL 13 Ca 0.98 -0.17 -0.03 0.00 -2.93 0.00 0.00 61.98 59.84 2tun s VAL 13 Cb -1.21 -0.62 -0.00 0.00 -1.53 0.00 0.00 36.38 33.02 2tun s VAL 13 CO 0.68 -0.09 0.07 0.00 -3.33 0.00 0.00 175.10 172.43 2tun s ALA 14 N -0.44 -0.15 -0.48 1.54 0.00 -0.32 -0.40 121.76 121.51 2tun s ALA 14 Ca -0.06 -0.09 0.06 0.00 0.00 0.00 0.00 51.96 51.87 2tun s ALA 14 Cb -0.03 0.01 0.19 0.00 0.00 0.00 0.00 23.12 23.28 2tun s ALA 14 CO 0.03 -0.12 0.74 -1.58 0.00 0.00 0.00 175.76 174.83 2tun s HIS 15 N -0.74 -1.52 -0.08 0.00 2.46 0.14 -0.50 115.29 115.04 2tun s HIS 15 Ca -0.08 -0.34 -0.16 0.00 0.47 0.00 0.00 55.06 54.95 2tun s HIS 15 Cb -0.05 0.30 -0.05 0.00 -0.13 0.00 0.00 32.58 32.65 2tun s HIS 15 CO 0.00 -1.16 0.42 0.14 -2.47 0.00 0.00 174.74 171.68 2tun s VAL 16 N 1.12 5.14 0.47 0.89 -7.23 -0.99 -2.45 120.40 117.36 2tun s VAL 16 Ca 0.26 0.85 0.02 0.00 -1.81 0.00 0.00 61.98 61.30 2tun s VAL 16 Cb 0.00 -3.75 0.01 0.00 0.56 0.00 0.00 36.38 33.20 2tun s VAL 16 CO -0.06 0.43 0.68 -0.69 -0.31 0.00 0.00 175.10 175.14 2tun s VAL 17 N -0.01 3.47 0.34 1.32 1.01 -0.84 -0.58 120.40 125.11 2tun s VAL 17 Ca 0.24 -0.65 -0.12 0.00 0.00 0.00 0.00 61.98 61.45 2tun s VAL 17 Cb -0.15 -3.27 -0.07 0.00 0.00 0.00 0.00 36.38 32.88 2tun s VAL 17 CO 0.10 -0.17 0.71 0.00 0.00 0.00 0.00 175.10 175.74 2tun s ALA 18 N -2.57 3.39 -0.16 5.51 0.00 -1.23 -0.25 121.76 126.45 2tun s ALA 18 Ca 0.52 -0.14 -0.30 0.00 0.00 0.00 0.00 51.96 52.04 2tun s ALA 18 Cb -0.10 -2.66 -0.07 0.00 0.00 0.00 0.00 23.12 20.29 2tun s ALA 18 CO 0.37 0.22 2.14 0.09 0.00 0.00 0.00 175.76 178.59 2tun n ASN 19 N -0.73 3.37 0.24 0.00 4.13 0.79 -4.81 115.26 118.26 2tun n ASN 19 Ca 0.02 0.43 0.16 0.00 1.68 0.00 0.00 54.58 56.88 2tun n ASN 19 Cb 0.53 -1.51 0.72 0.00 -1.54 0.00 0.00 39.78 37.98 2tun n ASN 19 CO 0.00 0.00 0.00 1.55 0.28 0.00 0.00 177.26 179.09 2tun h PRO 20 N 13.44 0.00 -0.01 3.52 0.13 -1.94 -3.06 132.00 144.08 2tun h PRO 20 Ca -0.42 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 64.71 2tun h PRO 20 Cb 1.25 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.38 2tun h PRO 20 CO 0.96 0.00 -0.02 1.04 -0.23 0.00 0.00 178.00 179.75 2tun n GLN 21 N -2.82 0.33 -3.18 0.86 3.00 -1.26 -4.97 117.38 109.34 2tun n GLN 21 Ca 0.00 -0.89 -0.43 0.00 -0.01 0.00 0.00 57.00 55.67 2tun n GLN 21 Cb 0.23 -1.12 -0.07 0.00 0.00 0.00 0.00 30.24 29.28 2tun n GLN 21 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.06 177.06 2tun s ALA 22 N -0.68 3.38 0.16 -1.58 0.00 -1.16 -5.03 121.76 116.85 2tun s ALA 22 Ca 0.08 -1.49 -0.32 0.00 0.00 0.00 0.00 51.96 50.23 2tun s ALA 22 Cb 0.06 -3.26 -0.11 0.00 0.00 0.00 0.00 23.12 19.80 2tun s ALA 22 CO 0.10 -1.83 1.79 -0.85 0.00 0.00 0.00 175.76 174.97 2tun n GLU 23 N 6.08 2.79 -3.68 0.00 0.28 -1.26 -3.72 120.64 121.12 2tun n GLU 23 Ca -0.05 1.01 -0.30 0.00 -0.16 0.00 0.00 57.16 57.67 2tun n GLU 23 Cb 0.47 -2.89 -0.05 0.00 1.43 0.00 0.00 31.44 30.40 2tun n GLU 23 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 177.13 177.38 2tun n GLY 24 N 4.12 -0.33 0.00 -1.84 0.00 -1.26 -4.88 105.19 101.00 2tun n GLY 24 Ca 0.17 0.05 0.00 0.00 0.00 0.00 0.00 46.02 46.24 2tun n GLY 24 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 2tun n GLN 25 N -3.16 2.56 -2.69 1.61 10.64 -1.24 -4.11 117.38 120.98 2tun n GLN 25 Ca 0.08 0.00 -0.06 0.00 -1.83 0.00 0.00 57.00 55.19 2tun n GLN 25 Cb 0.37 0.00 0.10 0.00 -0.86 0.00 0.00 30.24 29.85 2tun n GLN 25 CO 0.00 0.00 0.00 -0.11 -1.83 0.00 0.00 177.06 175.12 2tun n LEU 26 N 0.00 -1.76 -4.75 2.61 7.94 -1.26 -4.85 117.00 114.93 2tun n LEU 26 Ca 0.00 -2.74 -0.40 0.00 -1.11 0.00 0.00 56.01 51.75 2tun n LEU 26 Cb 0.00 0.95 -0.05 0.00 0.53 0.00 0.00 43.42 44.85 2tun n LEU 26 CO 0.00 1.82 0.75 -1.58 -1.11 0.00 0.00 177.39 177.26 2tun s GLN 27 N 0.15 4.71 -0.25 1.96 2.00 -1.26 -4.88 119.66 122.09 2tun s GLN 27 Ca 0.21 1.69 -0.09 0.00 -2.00 0.00 0.00 55.36 55.17 2tun s GLN 27 Cb 0.29 -3.23 -0.04 0.00 0.80 0.00 0.00 33.01 30.84 2tun s GLN 27 CO -0.13 0.30 0.12 -1.58 -0.50 0.00 0.00 175.29 173.51 2tun s TRP 28 N -1.10 3.18 -0.20 1.67 0.52 -1.26 -0.14 118.94 121.61 2tun s TRP 28 Ca 0.44 -0.08 -0.03 0.00 0.02 0.00 0.00 56.10 56.45 2tun s TRP 28 Cb -0.30 -2.27 -0.01 0.00 -1.15 0.00 0.00 33.47 29.74 2tun s TRP 28 CO 0.38 -0.16 -0.07 -1.17 0.02 0.00 0.00 176.95 175.94 2tun s LEU 29 N 1.42 2.84 0.73 2.99 1.98 0.66 -4.94 118.68 124.36 2tun s LEU 29 Ca 0.06 -0.38 -0.06 0.00 -2.89 0.00 0.00 54.13 50.87 2tun s LEU 29 Cb -0.15 -1.70 0.09 0.00 0.66 0.00 0.00 46.19 45.09 2tun s LEU 29 CO 0.06 0.03 1.03 0.54 -1.89 0.00 0.00 176.35 176.12 2tun s ASN 30 N 1.18 4.49 0.00 3.68 6.03 -1.26 -1.99 114.94 127.07 2tun s ASN 30 Ca 0.02 0.19 0.00 0.00 -1.03 0.00 0.00 52.86 52.04 2tun s ASN 30 Cb -0.14 -0.71 0.00 0.00 -3.03 0.00 0.00 41.25 37.37 2tun s ASN 30 CO -0.02 -1.79 0.00 0.54 -2.03 0.00 0.00 177.10 173.81 2tun n ARG 31 N -2.97 0.00 0.00 3.55 1.74 -1.14 -4.88 116.66 112.95 2tun n ARG 31 Ca 0.11 0.00 0.00 0.00 -0.77 0.00 0.00 57.85 57.19 2tun n ARG 31 Cb 0.60 0.00 0.00 0.00 -1.02 0.00 0.00 32.46 32.04 2tun n ARG 31 CO 0.00 0.00 0.00 -2.13 -1.52 0.00 0.00 177.63 173.98 2tun n ARG 32 N 0.00 0.00 0.00 5.56 0.00 -1.26 -3.22 116.66 117.74 2tun n ARG 32 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.85 57.85 2tun n ARG 32 Cb 0.00 0.00 0.00 0.00 0.00 0.00 0.00 32.46 32.46 2tun n ARG 32 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 177.63 177.63 2tun n ALA 33 N 0.00 0.00 -2.37 5.13 0.00 -1.26 -4.86 120.51 117.15 2tun n ALA 33 Ca 0.00 0.00 -0.23 0.00 0.00 0.00 0.00 53.44 53.21 2tun n ALA 33 Cb 0.00 0.00 0.01 0.00 0.00 0.00 0.00 19.45 19.46 2tun n ALA 33 CO 0.00 0.00 0.00 0.09 0.00 0.00 0.00 177.50 177.59 2tun n ASN 34 N 0.00 4.36 -4.70 0.00 3.02 -1.26 -5.04 115.26 111.63 2tun n ASN 34 Ca 0.00 -3.57 -0.39 0.00 -0.03 0.00 0.00 54.58 50.59 2tun n ASN 34 Cb 0.00 -0.43 -0.05 0.00 -0.61 0.00 0.00 39.78 38.69 2tun n ASN 34 CO 0.00 0.00 0.00 0.00 -2.62 0.00 0.00 177.26 174.64 2tun s ALA 35 N -3.54 3.45 0.06 5.41 0.00 -1.20 -5.04 121.76 120.91 2tun s ALA 35 Ca 0.46 -0.11 0.03 0.00 0.00 0.00 0.00 51.96 52.34 2tun s ALA 35 Cb 0.40 -2.85 -0.04 0.00 0.00 0.00 0.00 23.12 20.64 2tun s ALA 35 CO -0.09 -0.21 0.06 -0.51 0.00 0.00 0.00 175.76 175.01 2tun s LEU 36 N 1.09 3.72 -0.30 0.00 1.43 -1.02 -2.90 118.68 120.69 2tun s LEU 36 Ca 0.31 -0.02 -0.12 0.00 -1.03 0.00 0.00 54.13 53.27 2tun s LEU 36 Cb -0.16 -2.35 0.18 0.00 0.03 0.00 0.00 46.19 43.89 2tun s LEU 36 CO 0.13 0.20 1.04 -0.22 0.23 0.00 0.00 176.35 177.73 2tun s LEU 37 N -2.18 -0.48 -0.24 1.79 2.96 -1.24 0.24 118.68 119.53 2tun s LEU 37 Ca 0.27 0.24 -0.26 0.00 -0.22 0.00 0.00 54.13 54.16 2tun s LEU 37 Cb -0.12 1.38 0.08 0.00 0.50 0.00 0.00 46.19 48.02 2tun s LEU 37 CO 0.19 -0.09 0.75 0.00 -1.32 0.00 0.00 176.35 175.88 2tun s ALA 38 N 2.95 -1.80 -0.20 5.97 0.00 0.46 -5.00 121.76 124.14 2tun s ALA 38 Ca 0.05 1.92 -0.01 0.00 0.00 0.00 0.00 51.96 53.91 2tun s ALA 38 Cb -0.09 -1.05 0.00 0.00 0.00 0.00 0.00 23.12 21.98 2tun s ALA 38 CO -0.14 -0.33 0.21 0.09 0.00 0.00 0.00 175.76 175.59 2tun n ASN 39 N 2.38 -3.83 0.00 0.00 3.02 -1.26 -1.01 115.26 114.56 2tun n ASN 39 Ca -0.14 0.03 0.00 0.00 -0.03 0.00 0.00 54.58 54.44 2tun n ASN 39 Cb 0.55 -2.36 0.00 0.00 -0.61 0.00 0.00 39.78 37.37 2tun n ASN 39 CO 0.00 0.00 0.00 0.61 -2.62 0.00 0.00 177.26 175.25 2tun n GLY 40 N -1.00 1.79 3.60 7.41 0.00 -1.26 -4.33 105.19 111.40 2tun n GLY 40 Ca 0.01 -0.25 -0.54 0.00 0.00 0.00 0.00 46.02 45.24 2tun n GLY 40 CO 0.00 0.00 0.00 3.33 0.00 0.00 0.00 173.32 176.65 2tun n VAL 41 N 0.00 0.03 -3.75 1.61 0.24 -1.26 -4.56 118.33 110.64 2tun n VAL 41 Ca 0.00 -0.01 -0.13 0.00 -2.04 0.00 0.00 64.34 62.16 2tun n VAL 41 Cb 0.00 -0.77 -0.09 0.00 -1.47 0.00 0.00 33.84 31.51 2tun n VAL 41 CO 0.00 0.00 0.00 -1.83 -2.14 0.00 0.00 176.83 172.86 2tun s GLU 42 N 0.81 0.67 -0.30 7.34 -1.05 -1.17 -4.47 118.70 120.53 2tun s GLU 42 Ca 0.87 -0.14 -0.15 0.00 -0.15 0.00 0.00 54.97 55.41 2tun s GLU 42 Cb -1.01 0.30 -0.03 0.00 -0.44 0.00 0.00 34.13 32.95 2tun s GLU 42 CO 0.50 -0.18 0.35 -0.48 0.95 0.00 0.00 175.26 176.40 2tun s LEU 43 N -1.24 4.20 0.00 1.83 0.05 -1.26 -1.77 118.68 120.49 2tun s LEU 43 Ca -0.13 0.04 0.00 0.00 0.05 0.00 0.00 54.13 54.09 2tun s LEU 43 Cb -0.05 -2.36 0.00 0.00 -2.05 0.00 0.00 46.19 41.73 2tun s LEU 43 CO 0.04 -0.24 0.00 0.54 -0.55 0.00 0.00 176.35 176.15 2tun n ARG 44 N 5.33 0.00 -1.09 1.48 5.12 -1.10 -4.85 116.66 121.56 2tun n ARG 44 Ca -0.09 0.00 -0.17 0.00 -1.93 0.00 0.00 57.85 55.66 2tun n ARG 44 Cb 0.50 0.00 -0.07 0.00 -1.16 0.00 0.00 32.46 31.74 2tun n ARG 44 CO 0.00 0.00 0.00 -0.25 -1.93 0.00 0.00 177.63 175.45 2tun n ASP 45 N 0.00 5.94 -2.33 0.55 8.00 -1.26 -4.54 116.55 122.92 2tun n ASP 45 Ca 0.00 -2.85 -0.07 0.00 0.71 0.00 0.00 54.79 52.58 2tun n ASP 45 Cb 0.00 -1.24 0.03 0.00 -0.02 0.00 0.00 41.12 39.89 2tun n ASP 45 CO 0.00 0.00 0.00 -3.20 -0.39 0.00 0.00 177.20 173.61 2tun n ASN 46 N 1.36 -4.20 -3.80 -2.24 5.15 -1.26 -5.08 115.26 105.20 2tun n ASN 46 Ca 0.37 -0.33 -0.10 0.00 -0.60 0.00 0.00 54.58 53.92 2tun n ASN 46 Cb 0.67 -2.73 -0.07 0.00 -0.53 0.00 0.00 39.78 37.12 2tun n ASN 46 CO 0.00 0.00 0.00 -1.10 1.40 0.00 0.00 177.26 177.56 2tun s GLN 47 N -3.65 0.84 -0.82 1.20 1.11 -1.26 -4.84 119.66 112.24 2tun s GLN 47 Ca 0.22 -0.76 -0.15 0.00 0.01 0.00 0.00 55.36 54.68 2tun s GLN 47 Cb -0.03 0.35 0.20 0.00 -1.01 0.00 0.00 33.01 32.53 2tun s GLN 47 CO 0.35 -0.27 0.79 -0.51 0.01 0.00 0.00 175.29 175.65 2tun s LEU 48 N -2.53 6.53 -0.05 2.90 1.43 -0.33 -2.69 118.68 123.94 2tun s LEU 48 Ca 0.01 -2.55 -0.21 0.00 -1.03 0.00 0.00 54.13 50.35 2tun s LEU 48 Cb 0.02 -2.23 -0.05 0.00 0.03 0.00 0.00 46.19 43.96 2tun s LEU 48 CO -0.08 -0.65 0.59 -0.69 0.23 0.00 0.00 176.35 175.75 2tun s VAL 49 N 0.56 5.03 0.08 -1.59 1.01 -0.73 -0.70 120.40 124.06 2tun s VAL 49 Ca 0.18 1.22 -0.30 0.00 0.00 0.00 0.00 61.98 63.08 2tun s VAL 49 Cb -0.11 -3.93 -0.05 0.00 0.00 0.00 0.00 36.38 32.29 2tun s VAL 49 CO -0.08 0.35 1.05 -0.69 0.00 0.00 0.00 175.10 175.73 2tun s VAL 50 N 0.30 4.35 0.00 2.92 1.01 0.12 -3.04 120.40 126.06 2tun s VAL 50 Ca 0.31 1.82 0.00 0.00 0.00 0.00 0.00 61.98 64.12 2tun s VAL 50 Cb -0.17 -4.17 0.00 0.00 0.00 0.00 0.00 36.38 32.04 2tun s VAL 50 CO 0.15 0.22 0.00 -0.81 0.00 0.00 0.00 175.10 174.66 2tun n PRO 51 N 3.26 0.00 -3.98 2.72 -0.04 -1.26 0.22 135.00 135.92 2tun n PRO 51 Ca 0.05 0.00 -0.24 0.00 -0.04 0.00 0.00 63.50 63.27 2tun n PRO 51 Cb 0.48 -0.07 -0.03 0.00 -0.04 0.00 0.00 33.50 33.84 2tun n PRO 51 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2tun s SER 52 N -1.43 6.18 0.59 3.54 0.15 -1.26 -2.66 113.70 118.81 2tun s SER 52 Ca 0.00 0.07 -0.19 0.00 0.70 0.00 0.00 55.95 56.53 2tun s SER 52 Cb 0.00 -1.80 -0.04 0.00 -1.71 0.00 0.00 66.02 62.47 2tun s SER 52 CO 0.00 -0.00 1.22 -1.61 1.20 0.00 0.00 173.24 174.05 2tun s GLU 53 N -3.56 3.00 0.00 5.44 2.02 -1.26 -4.57 118.70 119.77 2tun s GLU 53 Ca 0.34 1.85 0.00 0.00 0.02 0.00 0.00 54.97 57.18 2tun s GLU 53 Cb -0.10 -1.96 0.00 0.00 0.10 0.00 0.00 34.13 32.17 2tun s GLU 53 CO 0.28 -1.19 0.00 0.41 0.02 0.00 0.00 175.26 174.78 2tun n GLY 54 N 0.53 -0.59 3.53 -1.39 0.00 -0.33 -4.94 105.19 101.99 2tun n GLY 54 Ca 0.13 -1.19 -0.36 0.00 0.00 0.00 0.00 46.02 44.60 2tun n GLY 54 CO 0.00 0.00 0.00 1.08 0.00 0.00 0.00 173.32 174.40 2tun s LEU 55 N 0.00 3.68 0.03 0.99 1.02 -1.26 -1.86 118.68 121.27 2tun s LEU 55 Ca 0.00 -0.09 0.04 0.00 0.02 0.00 0.00 54.13 54.10 2tun s LEU 55 Cb 0.00 -1.99 -0.02 0.00 0.02 0.00 0.00 46.19 44.21 2tun s LEU 55 CO 0.00 0.01 -0.13 -0.31 0.02 0.00 0.00 176.35 175.94 2tun s TYR 56 N 1.38 1.13 -0.02 0.29 1.51 -0.45 -2.84 117.35 118.35 2tun s TYR 56 Ca 0.06 -0.31 -0.25 0.00 -1.01 0.00 0.00 57.07 55.55 2tun s TYR 56 Cb -0.15 -0.68 -0.04 0.00 -0.11 0.00 0.00 41.96 40.98 2tun s TYR 56 CO 0.05 0.01 0.78 -1.17 -1.11 0.00 0.00 175.55 174.11 2tun s LEU 57 N -0.90 4.37 -0.24 -1.29 2.96 -0.58 -1.25 118.68 121.75 2tun s LEU 57 Ca 0.02 1.38 0.02 0.00 -0.22 0.00 0.00 54.13 55.33 2tun s LEU 57 Cb -0.07 -3.24 0.05 0.00 0.50 0.00 0.00 46.19 43.43 2tun s LEU 57 CO 0.01 -0.10 -0.13 -0.63 -1.32 0.00 0.00 176.35 174.17 2tun s ILE 58 N 0.56 2.10 -0.07 6.68 1.01 0.21 -2.34 121.20 129.35 2tun s ILE 58 Ca 0.41 -1.43 0.02 0.00 0.00 0.00 0.00 60.65 59.65 2tun s ILE 58 Cb -0.19 -2.14 0.01 0.00 0.01 0.00 0.00 42.46 40.15 2tun s ILE 58 CO 0.22 0.12 -0.12 -0.72 0.00 0.00 0.00 174.94 174.43 2tun s TYR 59 N 1.17 1.48 -0.22 3.97 -0.85 0.10 -1.56 117.35 121.44 2tun s TYR 59 Ca -0.05 -0.55 -0.03 0.00 -0.52 0.00 0.00 57.07 55.91 2tun s TYR 59 Cb -0.18 -1.09 0.11 0.00 0.38 0.00 0.00 41.96 41.18 2tun s TYR 59 CO -0.07 -0.28 0.28 0.45 -1.52 0.00 0.00 175.55 174.40 2tun s SER 60 N 0.67 1.01 0.05 -0.18 0.15 0.18 0.05 113.70 115.64 2tun s SER 60 Ca -0.14 -0.10 0.06 0.00 0.70 0.00 0.00 55.95 56.47 2tun s SER 60 Cb -0.16 0.63 -0.04 0.00 -1.71 0.00 0.00 66.02 64.75 2tun s SER 60 CO 0.04 -0.32 -0.13 0.00 1.20 0.00 0.00 173.24 174.02 2tun s GLN 61 N 2.40 2.17 0.11 5.44 -2.07 -1.21 -1.67 119.66 124.82 2tun s GLN 61 Ca 0.09 -0.95 0.03 0.00 -1.82 0.00 0.00 55.36 52.70 2tun s GLN 61 Cb -0.16 -2.28 -0.04 0.00 -1.09 0.00 0.00 33.01 29.44 2tun s GLN 61 CO -0.14 0.54 -0.08 0.08 -1.32 0.00 0.00 175.29 174.37 2tun s VAL 62 N -1.03 0.82 -0.03 3.63 1.01 -0.56 -1.37 120.40 122.87 2tun s VAL 62 Ca 0.17 -1.89 0.01 0.00 0.00 0.00 0.00 61.98 60.27 2tun s VAL 62 Cb -0.11 -1.64 0.02 0.00 0.00 0.00 0.00 36.38 34.65 2tun s VAL 62 CO 0.08 -0.79 -0.05 -0.22 0.00 0.00 0.00 175.10 174.12 2tun s LEU 63 N -2.94 1.51 -0.13 3.92 0.20 -1.23 -0.04 118.68 119.96 2tun s LEU 63 Ca 0.11 -0.13 -0.00 0.00 0.69 0.00 0.00 54.13 54.79 2tun s LEU 63 Cb 0.03 -0.44 -0.02 0.00 -0.43 0.00 0.00 46.19 45.33 2tun s LEU 63 CO -0.03 -0.01 -0.12 -0.36 -0.29 0.00 0.00 176.35 175.54 2tun s PHE 64 N 0.63 2.83 -0.06 5.38 0.40 -0.83 -3.44 117.98 122.90 2tun s PHE 64 Ca -0.09 -0.56 0.05 0.00 -0.60 0.00 0.00 56.93 55.74 2tun s PHE 64 Cb -0.12 -1.84 -0.01 0.00 0.51 0.00 0.00 43.02 41.56 2tun s PHE 64 CO 0.00 -0.16 -0.23 0.21 0.70 0.00 0.00 175.22 175.75 2tun s LYS 65 N 0.27 2.47 -0.30 0.44 2.20 -0.71 -1.74 119.74 122.37 2tun s LYS 65 Ca -0.08 -0.83 -0.13 0.00 -0.36 0.00 0.00 55.97 54.56 2tun s LYS 65 Cb -0.15 -2.05 0.15 0.00 -1.51 0.00 0.00 37.83 34.26 2tun s LYS 65 CO 0.05 0.31 0.85 0.20 -0.36 0.00 0.00 175.35 176.41 2tun s GLY 66 N -0.02 -0.41 -0.12 5.54 0.00 -0.98 -4.06 107.32 107.26 2tun s GLY 66 Ca -0.06 2.77 -0.29 0.00 0.00 0.00 0.00 44.72 47.13 2tun s GLY 66 CO 0.04 3.17 1.52 1.20 0.00 0.00 0.00 173.10 179.03 2tun s GLN 67 N 2.63 4.12 0.18 2.90 -1.52 -1.26 -0.65 119.66 126.06 2tun s GLN 67 Ca -0.04 1.91 0.00 0.00 -1.95 0.00 0.00 55.36 55.28 2tun s GLN 67 Cb -0.08 -3.92 0.00 0.00 -0.22 0.00 0.00 33.01 28.78 2tun s GLN 67 CO -0.18 -0.89 0.00 0.41 -0.25 0.00 0.00 175.29 174.38 2tun n GLY 68 N 4.07 -3.21 3.13 3.09 0.00 -0.74 -4.82 105.19 106.70 2tun n GLY 68 Ca 0.16 -1.15 -0.37 0.00 0.00 0.00 0.00 46.02 44.66 2tun n GLY 68 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun n PRO 70 N 4.46 1.55 0.00 0.00 -0.02 -1.26 -1.40 135.00 138.32 2tun n PRO 70 Ca -0.01 0.00 0.00 0.00 -2.02 0.00 0.00 63.50 61.47 2tun n PRO 70 Cb 0.41 0.00 0.00 0.00 -0.02 0.00 0.00 33.50 33.89 2tun n PRO 70 CO 0.00 0.00 0.00 -1.13 1.98 0.00 0.00 175.50 176.35 2tun n SER 71 N 0.00 0.31 0.00 2.55 3.41 -1.26 -2.43 113.62 116.20 2tun n SER 71 Ca 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 58.87 58.61 2tun n SER 71 Cb 0.00 0.00 0.00 0.00 -0.26 0.00 0.00 64.21 63.95 2tun n SER 71 CO 0.00 0.00 0.00 0.41 -0.16 0.00 0.00 175.04 175.29 2tun n THR 72 N 0.00 0.00 0.00 6.66 -1.04 -1.26 -4.34 114.28 114.30 2tun n THR 72 Ca 0.00 0.00 0.00 0.00 -2.04 0.00 0.00 64.05 62.01 2tun n THR 72 Cb 0.00 0.00 0.00 0.00 -1.82 0.00 0.00 70.33 68.51 2tun n THR 72 CO 0.00 0.00 0.00 1.41 -0.64 0.00 0.00 175.07 175.84 2tun n HIS 73 N 0.00 0.00 0.26 -1.42 8.25 -1.26 -5.04 115.22 116.00 2tun n HIS 73 Ca 0.00 0.00 0.10 0.00 -0.26 0.00 0.00 57.72 57.56 2tun n HIS 73 Cb 0.00 0.00 0.68 0.00 1.12 0.00 0.00 29.99 31.79 2tun n HIS 73 CO 0.00 0.00 0.00 -0.39 0.64 0.00 0.00 176.34 176.59 2tun h VAL 74 N 0.00 0.76 -2.48 1.59 -1.51 -1.95 -3.48 116.25 109.18 2tun h VAL 74 Ca 0.00 -0.45 -0.00 0.00 -1.23 0.00 0.00 66.70 65.02 2tun h VAL 74 Cb 0.00 1.27 0.00 0.00 -2.13 0.00 0.00 31.29 30.43 2tun h VAL 74 CO 0.00 0.11 -0.27 0.18 -1.23 0.00 0.00 177.57 176.36 2tun n LEU 75 N -3.94 -0.96 -4.65 4.19 4.32 -1.26 -4.82 117.00 109.88 2tun n LEU 75 Ca -0.02 0.10 -0.47 0.00 -0.02 0.00 0.00 56.01 55.60 2tun n LEU 75 Cb 0.21 -0.43 -0.04 0.00 -1.62 0.00 0.00 43.42 41.54 2tun n LEU 75 CO 0.32 -0.37 1.12 0.00 -1.22 0.00 0.00 177.39 177.23 2tun n LEU 76 N 0.69 2.82 -4.21 2.23 -0.00 -1.18 -4.77 117.00 112.58 2tun n LEU 76 Ca -0.00 1.10 -0.18 0.00 -0.00 0.00 0.00 56.01 56.92 2tun n LEU 76 Cb 0.14 -1.38 -0.12 0.00 -0.00 0.00 0.00 43.42 42.06 2tun n LEU 76 CO 0.00 -0.45 -0.45 0.28 -0.00 0.00 0.00 177.39 176.77 2tun s THR 77 N 0.74 1.21 -0.05 1.47 -1.32 -1.26 -2.56 115.64 113.87 2tun s THR 77 Ca 0.79 -1.52 -0.02 0.00 -1.21 0.00 0.00 61.69 59.73 2tun s THR 77 Cb -0.73 -1.31 0.04 0.00 -1.51 0.00 0.00 72.50 68.99 2tun s THR 77 CO 0.41 -0.33 0.11 -2.28 -2.21 0.00 0.00 174.62 170.31 2tun s HIS 78 N -1.74 -0.09 0.25 9.09 5.04 -1.16 -2.78 115.29 123.90 2tun s HIS 78 Ca 0.04 0.39 0.09 0.00 -1.54 0.00 0.00 55.06 54.03 2tun s HIS 78 Cb -0.07 -0.21 -0.05 0.00 0.04 0.00 0.00 32.58 32.29 2tun s HIS 78 CO 0.02 -0.17 -0.13 -0.08 -2.34 0.00 0.00 174.74 172.04 2tun s THR 79 N 1.50 1.93 -0.04 0.89 -1.32 -0.22 -2.50 115.64 115.88 2tun s THR 79 Ca -0.05 -2.24 -0.01 0.00 -1.21 0.00 0.00 61.69 58.18 2tun s THR 79 Cb -0.12 -2.26 0.03 0.00 -1.51 0.00 0.00 72.50 68.63 2tun s THR 79 CO -0.05 -0.44 0.03 -0.63 -2.21 0.00 0.00 174.62 171.33 2tun s ILE 80 N -2.84 0.05 0.08 5.08 1.01 -0.33 0.16 121.20 124.40 2tun s ILE 80 Ca 0.27 0.28 0.07 0.00 0.00 0.00 0.00 60.65 61.27 2tun s ILE 80 Cb -0.00 -0.25 -0.03 0.00 0.01 0.00 0.00 42.46 42.19 2tun s ILE 80 CO 0.11 0.18 -0.19 -0.94 0.00 0.00 0.00 174.94 174.11 2tun s SER 81 N 1.81 2.23 -0.78 3.58 1.04 0.53 -0.35 113.70 121.75 2tun s SER 81 Ca 0.01 -0.61 -0.05 0.00 0.48 0.00 0.00 55.95 55.78 2tun s SER 81 Cb -0.12 -0.13 0.20 0.00 0.10 0.00 0.00 66.02 66.07 2tun s SER 81 CO -0.03 0.05 0.66 -0.60 0.98 0.00 0.00 173.24 174.29 2tun s ARG 82 N -1.62 3.11 -0.17 4.02 3.52 -0.33 -1.02 118.95 126.46 2tun s ARG 82 Ca 0.04 -2.81 -0.23 0.00 -0.13 0.00 0.00 55.73 52.61 2tun s ARG 82 Cb -0.09 -4.00 -0.02 0.00 -1.56 0.00 0.00 34.95 29.28 2tun s ARG 82 CO 0.03 -1.23 0.71 -1.50 -0.81 0.00 0.00 175.30 172.50 2tun s ILE 83 N -0.52 4.97 0.00 4.11 2.07 -0.30 -3.73 121.20 127.80 2tun s ILE 83 Ca 0.21 1.37 0.00 0.00 -1.41 0.00 0.00 60.65 60.82 2tun s ILE 83 Cb -0.14 -4.02 0.00 0.00 0.13 0.00 0.00 42.46 38.43 2tun s ILE 83 CO -0.08 0.10 0.00 0.55 -1.91 0.00 0.00 174.94 173.60 2tun n VAL 84 N 4.61 0.00 0.00 4.00 3.14 -1.26 -0.06 118.33 128.76 2tun n VAL 84 Ca 0.01 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.39 2tun n VAL 84 Cb 0.50 0.00 0.00 0.00 -1.06 0.00 0.00 33.84 33.28 2tun n VAL 84 CO 0.00 0.00 0.00 0.55 -6.46 0.00 0.00 176.83 170.92 2tun n VAL 85 N 0.00 0.00 0.00 1.55 3.14 -1.26 -4.67 118.33 117.09 2tun n VAL 85 Ca 0.00 0.00 0.00 0.00 -2.96 0.00 0.00 64.34 61.38 2tun n VAL 85 Cb 0.00 -0.06 0.00 0.00 -1.06 0.00 0.00 33.84 32.72 2tun n VAL 85 CO 0.00 0.00 0.00 -0.24 -6.46 0.00 0.00 176.83 170.13 2tun n SER 86 N -1.36 0.00 -3.43 6.55 2.88 -1.26 -4.33 113.62 112.67 2tun n SER 86 Ca 0.00 0.10 -0.39 0.00 -1.33 0.00 0.00 58.87 57.24 2tun n SER 86 Cb 0.05 -0.05 0.00 0.00 -0.75 0.00 0.00 64.21 63.46 2tun n SER 86 CO 0.00 0.00 0.00 0.00 -1.23 0.00 0.00 175.04 173.81 2tun n TYR 87 N -0.66 2.60 -0.99 0.66 4.19 -1.26 -4.85 117.16 116.86 2tun n TYR 87 Ca 0.00 -2.63 -0.23 0.00 3.31 0.00 0.00 57.90 58.35 2tun n TYR 87 Cb 0.00 -1.54 -0.07 0.00 0.49 0.00 0.00 39.34 38.22 2tun n TYR 87 CO 0.00 0.00 0.00 0.00 0.91 0.00 0.00 176.86 177.77 2tun n GLN 88 N 0.91 2.50 0.00 2.98 10.64 -1.26 -3.91 117.38 129.23 2tun n GLN 88 Ca 0.56 -1.46 0.00 0.00 -1.83 0.00 0.00 57.00 54.26 2tun n GLN 88 Cb 0.27 -2.35 0.00 0.00 -0.86 0.00 0.00 30.24 27.30 2tun n GLN 88 CO 0.00 0.00 0.00 2.41 -1.83 0.00 0.00 177.06 177.64 2tun n THR 89 N 3.29 0.00 -0.71 -0.39 -1.04 -1.26 -4.75 114.28 109.42 2tun n THR 89 Ca 0.53 -0.38 0.00 0.00 -2.04 0.00 0.00 64.05 62.16 2tun n THR 89 Cb 0.44 1.19 0.00 0.00 -1.82 0.00 0.00 70.33 70.14 2tun n THR 89 CO 0.00 0.00 0.00 0.29 -0.64 0.00 0.00 175.07 174.72 2tun n LYS 90 N -0.14 0.00 -4.53 -2.82 5.02 -1.25 -5.01 118.16 109.43 2tun n LYS 90 Ca 0.00 0.41 -0.34 0.00 -2.02 0.00 0.00 58.31 56.36 2tun n LYS 90 Cb 0.05 -0.30 -0.11 0.00 -0.02 0.00 0.00 35.03 34.65 2tun n LYS 90 CO 0.00 0.00 0.00 0.14 -0.52 0.00 0.00 177.40 177.02 2tun s VAL 91 N 0.00 3.93 -0.80 -0.18 -7.23 -1.24 -4.91 120.40 109.96 2tun s VAL 91 Ca 0.00 -0.39 -0.25 0.00 -1.81 0.00 0.00 61.98 59.53 2tun s VAL 91 Cb 0.00 -2.63 -0.04 0.00 0.56 0.00 0.00 36.38 34.28 2tun s VAL 91 CO 0.00 0.60 1.91 0.21 -0.31 0.00 0.00 175.10 177.51 2tun s ASN 92 N -0.79 5.20 0.08 4.85 3.04 -1.26 -1.18 114.94 124.88 2tun s ASN 92 Ca 0.12 -0.33 -0.33 0.00 0.04 0.00 0.00 52.86 52.35 2tun s ASN 92 Cb -0.11 -2.55 -0.17 0.00 -1.54 0.00 0.00 41.25 36.88 2tun s ASN 92 CO 0.02 -2.61 1.60 0.25 -3.04 0.00 0.00 177.10 173.32 2tun h LEU 93 N 17.32 -1.01 -7.05 3.21 6.46 -1.00 -3.45 115.31 129.80 2tun h LEU 93 Ca -0.03 0.07 -0.01 0.00 -0.12 0.00 0.00 57.88 57.79 2tun h LEU 93 Cb 1.06 0.31 -0.22 0.00 -0.73 0.00 0.00 40.66 41.08 2tun h LEU 93 CO 1.21 -0.59 -0.04 -0.76 -0.62 0.00 0.00 178.44 177.64 2tun s LEU 94 N -10.11 -0.75 0.01 2.25 1.43 0.27 -4.99 118.68 106.78 2tun s LEU 94 Ca -0.18 1.38 -0.28 0.00 -1.03 0.00 0.00 54.13 54.03 2tun s LEU 94 Cb 0.04 2.17 0.08 0.00 0.03 0.00 0.00 46.19 48.52 2tun s LEU 94 CO 0.62 -0.23 0.73 -0.55 0.23 0.00 0.00 176.35 177.15 2tun s SER 95 N 1.52 -0.55 0.36 2.29 0.15 -1.26 -1.19 113.70 115.02 2tun s SER 95 Ca -0.09 0.34 -0.02 0.00 0.70 0.00 0.00 55.95 56.88 2tun s SER 95 Cb -0.06 0.50 0.01 0.00 -1.71 0.00 0.00 66.02 64.76 2tun s SER 95 CO -0.17 -0.69 0.50 0.00 1.20 0.00 0.00 173.24 174.08 2tun s ALA 96 N -2.28 0.82 0.00 5.45 0.00 -1.04 -5.01 121.76 119.71 2tun s ALA 96 Ca -0.04 -1.56 -0.00 0.00 0.00 0.00 0.00 51.96 50.37 2tun s ALA 96 Cb -0.01 1.14 -0.01 0.00 0.00 0.00 0.00 23.12 24.25 2tun s ALA 96 CO -0.01 -0.80 -0.00 0.42 0.00 0.00 0.00 175.76 175.36 2tun s ILE 97 N -2.88 0.03 -0.05 0.00 1.01 -1.26 -2.98 121.20 115.07 2tun s ILE 97 Ca 0.31 -0.26 -0.03 0.00 0.00 0.00 0.00 60.65 60.67 2tun s ILE 97 Cb -0.01 -0.09 0.03 0.00 0.01 0.00 0.00 42.46 42.40 2tun s ILE 97 CO 0.22 -0.14 0.11 -0.75 0.00 0.00 0.00 174.94 174.37 2tun s LYS 98 N -0.42 0.08 -0.30 2.79 2.20 -1.06 -5.06 119.74 117.98 2tun s LYS 98 Ca -0.05 0.25 -0.05 0.00 -0.36 0.00 0.00 55.97 55.76 2tun s LYS 98 Cb -0.03 -0.09 0.02 0.00 -1.51 0.00 0.00 37.83 36.22 2tun s LYS 98 CO -0.00 -0.10 0.05 -1.54 -0.36 0.00 0.00 175.35 173.39 2tun s SER 99 N 0.70 4.99 0.40 1.43 1.04 -1.26 -3.12 113.70 117.87 2tun s SER 99 Ca -0.05 -0.89 0.23 0.00 0.48 0.00 0.00 55.95 55.71 2tun s SER 99 Cb -0.07 -1.82 0.31 0.00 0.10 0.00 0.00 66.02 64.54 2tun s SER 99 CO -0.03 -0.22 1.54 1.55 0.98 0.00 0.00 173.24 177.07 2tun h PRO 100 N 8.16 0.00 -4.37 4.02 0.13 -1.97 -3.44 132.00 134.53 2tun h PRO 100 Ca -0.29 0.00 -0.72 0.00 -0.87 0.00 0.00 66.00 64.13 2tun h PRO 100 Cb 1.11 0.00 -0.30 0.00 0.13 0.00 0.00 31.00 31.94 2tun h PRO 100 CO 0.59 0.00 -0.44 0.00 -0.23 0.00 0.00 178.00 177.92 2tun n GLN 102 N 4.85 0.62 -3.64 0.00 7.27 -1.26 -4.89 117.38 120.33 2tun n GLN 102 Ca -0.08 0.36 -0.08 0.00 0.07 0.00 0.00 57.00 57.27 2tun n GLN 102 Cb 0.41 -1.62 -0.07 0.00 2.41 0.00 0.00 30.24 31.37 2tun n GLN 102 CO 0.00 0.00 0.00 0.50 0.07 0.00 0.00 177.06 177.63 2tun s ARG 103 N -2.47 0.50 0.00 3.69 3.00 -1.26 -5.08 118.95 117.33 2tun s ARG 103 Ca -0.32 0.63 0.00 0.00 -1.00 0.00 0.00 55.73 55.04 2tun s ARG 103 Cb 0.10 0.23 0.00 0.00 0.00 0.00 0.00 34.95 35.27 2tun s ARG 103 CO 0.59 -0.07 0.00 0.39 0.00 0.00 0.00 175.30 176.21 2tun n GLU 104 N 2.46 0.00 -4.00 5.12 -0.58 -1.25 -5.04 120.64 117.35 2tun n GLU 104 Ca -0.13 0.00 -0.40 0.00 -0.42 0.00 0.00 57.16 56.21 2tun n GLU 104 Cb 0.56 0.00 0.01 0.00 -0.57 0.00 0.00 31.44 31.44 2tun n GLU 104 CO 0.00 0.00 0.00 2.41 -0.48 0.00 0.00 177.13 179.06 2tun n THR 105 N -1.77 -3.36 -0.08 2.62 -1.04 -0.49 -4.63 114.28 105.52 2tun n THR 105 Ca 0.00 -0.68 0.00 0.00 -2.04 0.00 0.00 64.05 61.33 2tun n THR 105 Cb 0.00 -2.70 0.00 0.00 -1.82 0.00 0.00 70.33 65.81 2tun n THR 105 CO 0.00 0.00 0.00 -0.81 -0.64 0.00 0.00 175.07 173.62 2tun n PRO 106 N -4.75 0.00 0.21 -2.82 -0.04 -1.26 -4.64 135.00 121.69 2tun n PRO 106 Ca -0.14 -0.19 0.15 0.00 -0.04 0.00 0.00 63.50 63.27 2tun n PRO 106 Cb 0.59 -1.48 0.58 0.00 -0.04 0.00 0.00 33.50 33.15 2tun n PRO 106 CO 0.00 0.00 0.00 0.93 -0.04 0.00 0.00 175.50 176.39 2tun h GLU 107 N 6.20 0.00 -1.06 0.54 4.39 -1.92 -1.09 114.58 121.65 2tun h GLU 107 Ca 0.00 0.00 0.00 0.00 0.34 0.00 0.00 59.36 59.70 2tun h GLU 107 Cb 0.00 0.00 0.00 0.00 -0.10 0.00 0.00 28.75 28.65 2tun h GLU 107 CO 0.55 0.00 0.00 0.41 -1.16 0.00 0.00 179.01 178.81 2tun n GLY 108 N 0.11 1.57 0.00 -3.84 0.00 -1.26 -4.45 105.19 97.31 2tun n GLY 108 Ca 0.02 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.04 2tun n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun n ALA 109 N 0.43 0.00 0.00 4.61 0.00 -1.20 -4.90 120.51 119.46 2tun n ALA 109 Ca 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53.44 53.44 2tun n ALA 109 Cb 0.36 0.00 0.00 0.00 0.00 0.00 0.00 19.45 19.81 2tun n ALA 109 CO 0.00 0.00 0.00 -1.91 0.00 0.00 0.00 177.50 175.59 2tun n GLU 110 N 0.00 0.00 0.00 0.00 2.13 -0.42 -5.09 120.64 117.26 2tun n GLU 110 Ca 0.00 0.00 0.00 0.00 0.66 0.00 0.00 57.16 57.82 2tun n GLU 110 Cb 0.00 0.00 0.00 0.00 0.27 0.00 0.00 31.44 31.71 2tun n GLU 110 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 2tun n ALA 111 N 0.00 0.00 -2.44 4.31 0.00 -1.26 -4.39 120.51 116.74 2tun n ALA 111 Ca 0.00 0.00 -0.24 0.00 0.00 0.00 0.00 53.44 53.20 2tun n ALA 111 Cb 0.00 0.00 -0.11 0.00 0.00 0.00 0.00 19.45 19.34 2tun n ALA 111 CO 0.00 0.00 0.00 0.15 0.00 0.00 0.00 177.50 177.65 2tun s LYS 112 N 0.00 1.45 0.18 0.00 3.01 -1.26 -4.79 119.74 118.34 2tun s LYS 112 Ca 0.00 -1.54 -0.03 0.00 -1.01 0.00 0.00 55.97 53.39 2tun s LYS 112 Cb 0.00 -1.61 0.05 0.00 -1.01 0.00 0.00 37.83 35.26 2tun s LYS 112 CO 0.00 0.33 0.17 -0.35 0.51 0.00 0.00 175.35 176.01 2tun n PRO 113 N 0.07 -1.24 -4.04 -1.68 -0.04 -1.26 -1.80 135.00 125.01 2tun n PRO 113 Ca -0.11 -0.27 -0.11 0.00 -0.04 0.00 0.00 63.50 62.97 2tun n PRO 113 Cb 0.57 -0.25 -0.11 0.00 -0.04 0.00 0.00 33.50 33.68 2tun n PRO 113 CO 0.00 0.00 0.00 1.67 -0.04 0.00 0.00 175.50 177.13 2tun s TRP 114 N -1.31 0.51 -0.03 0.54 1.48 0.18 -4.63 118.94 115.67 2tun s TRP 114 Ca 0.11 -0.60 0.03 0.00 -1.06 0.00 0.00 56.10 54.58 2tun s TRP 114 Cb -0.01 -0.32 0.00 0.00 -1.16 0.00 0.00 33.47 31.98 2tun s TRP 114 CO 0.08 -0.16 -0.10 0.71 -4.06 0.00 0.00 176.95 173.43 2tun s TYR 115 N -1.83 1.03 -0.27 1.66 1.51 -1.26 -2.33 117.35 115.86 2tun s TYR 115 Ca -0.09 -0.27 -0.01 0.00 -1.01 0.00 0.00 57.07 55.69 2tun s TYR 115 Cb -0.07 -0.74 0.16 0.00 -0.11 0.00 0.00 41.96 41.20 2tun s TYR 115 CO -0.02 -0.12 0.47 -2.00 -1.11 0.00 0.00 175.55 172.77 2tun s GLU 116 N 0.26 0.45 0.32 -0.62 2.56 -0.71 -5.01 118.70 115.95 2tun s GLU 116 Ca -0.05 0.64 -0.18 0.00 0.00 0.00 0.00 54.97 55.38 2tun s GLU 116 Cb -0.10 -0.05 -0.09 0.00 2.00 0.00 0.00 34.13 35.89 2tun s GLU 116 CO 0.01 -0.72 0.78 -1.25 -0.56 0.00 0.00 175.26 173.52 2tun s PRO 117 N 2.67 4.13 -0.29 4.30 0.05 -1.26 -1.95 135.00 142.64 2tun s PRO 117 Ca 0.15 0.83 -0.04 0.00 0.05 0.00 0.00 61.00 61.99 2tun s PRO 117 Cb -0.14 -2.50 0.10 0.00 0.05 0.00 0.00 34.50 32.01 2tun s PRO 117 CO -0.20 0.18 0.14 0.42 0.05 0.00 0.00 177.00 177.58 2tun s ILE 118 N -1.90 -0.06 -0.25 0.56 1.01 0.94 -4.98 121.20 116.51 2tun s ILE 118 Ca 0.53 -0.82 -0.17 0.00 0.00 0.00 0.00 60.65 60.19 2tun s ILE 118 Cb -0.12 -0.99 -0.03 0.00 0.01 0.00 0.00 42.46 41.33 2tun s ILE 118 CO 0.18 -0.74 0.48 -0.47 0.00 0.00 0.00 174.94 174.38 2tun s TYR 119 N 2.03 3.28 -0.07 3.97 6.14 -1.26 -1.49 117.35 129.95 2tun s TYR 119 Ca 0.10 0.61 0.02 0.00 0.64 0.00 0.00 57.07 58.44 2tun s TYR 119 Cb -0.16 -2.67 -0.02 0.00 0.42 0.00 0.00 41.96 39.52 2tun s TYR 119 CO -0.34 -0.24 -0.13 -0.51 0.64 0.00 0.00 175.55 174.97 2tun s LEU 120 N 2.13 2.78 -0.08 6.97 1.43 -0.67 -4.98 118.68 126.26 2tun s LEU 120 Ca 0.20 -0.20 -0.30 0.00 -1.03 0.00 0.00 54.13 52.80 2tun s LEU 120 Cb -0.16 -1.58 0.11 0.00 0.03 0.00 0.00 46.19 44.60 2tun s LEU 120 CO 0.09 0.31 0.95 -0.83 0.23 0.00 0.00 176.35 177.10 2tun s GLY 121 N -0.50 -0.38 0.00 -3.19 0.00 -1.25 -0.64 107.32 101.36 2tun s GLY 121 Ca 0.07 1.47 0.00 0.00 0.00 0.00 0.00 44.72 46.26 2tun s GLY 121 CO 0.02 0.64 0.00 0.61 0.00 0.00 0.00 173.10 174.37 2tun n GLY 122 N 0.18 -1.49 2.83 0.20 0.00 -0.60 -4.99 105.19 101.32 2tun n GLY 122 Ca -0.09 -1.03 -0.18 0.00 0.00 0.00 0.00 46.02 44.73 2tun n GLY 122 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 2tun s VAL 123 N -2.55 0.25 0.27 1.61 0.11 -1.26 0.65 120.40 119.47 2tun s VAL 123 Ca 0.00 0.06 0.03 0.00 -2.93 0.00 0.00 61.98 59.14 2tun s VAL 123 Cb 0.00 -0.34 -0.06 0.00 -1.53 0.00 0.00 36.38 34.46 2tun s VAL 123 CO 0.00 0.17 0.03 -0.36 -3.33 0.00 0.00 175.10 171.61 2tun s PHE 124 N 1.08 1.71 -0.69 1.54 0.40 -0.38 -4.97 117.98 116.67 2tun s PHE 124 Ca -0.09 -0.98 -0.09 0.00 -0.60 0.00 0.00 56.93 55.18 2tun s PHE 124 Cb -0.14 -1.04 0.18 0.00 0.51 0.00 0.00 43.02 42.53 2tun s PHE 124 CO -0.02 -0.07 0.57 -0.65 0.70 0.00 0.00 175.22 175.75 2tun s GLN 125 N -3.90 3.00 0.22 0.44 -1.52 -1.26 -1.34 119.66 115.29 2tun s GLN 125 Ca 0.33 -2.37 0.08 0.00 -1.95 0.00 0.00 55.36 51.45 2tun s GLN 125 Cb 0.07 -4.07 -0.04 0.00 -0.22 0.00 0.00 33.01 28.75 2tun s GLN 125 CO 0.12 -1.23 0.03 -0.48 -0.25 0.00 0.00 175.29 173.48 2tun s LEU 126 N 0.28 3.34 0.56 2.90 -0.00 -0.78 -5.01 118.68 119.98 2tun s LEU 126 Ca 0.15 -0.46 0.07 0.00 -0.00 0.00 0.00 54.13 53.89 2tun s LEU 126 Cb -0.17 -1.93 0.06 0.00 -0.00 0.00 0.00 46.19 44.15 2tun s LEU 126 CO -0.05 0.04 0.58 -1.61 -0.00 0.00 0.00 176.35 175.31 2tun s GLU 127 N -3.34 2.26 0.11 1.48 2.02 -1.26 -1.19 118.70 118.78 2tun s GLU 127 Ca 0.30 -1.87 -0.31 0.00 0.02 0.00 0.00 54.97 53.10 2tun s GLU 127 Cb -0.08 -2.33 -0.10 0.00 0.10 0.00 0.00 34.13 31.72 2tun s GLU 127 CO 0.20 -0.75 1.78 0.21 0.02 0.00 0.00 175.26 176.72 2tun s LYS 128 N -4.46 4.15 -0.74 1.61 2.20 -1.26 -3.17 119.74 118.07 2tun s LYS 128 Ca 0.46 2.52 -0.03 0.00 -0.36 0.00 0.00 55.97 58.55 2tun s LYS 128 Cb -0.04 -3.60 0.00 0.00 -1.51 0.00 0.00 37.83 32.69 2tun s LYS 128 CO 0.29 -0.81 0.64 0.41 -0.36 0.00 0.00 175.35 175.52 2tun n GLY 129 N 4.17 0.05 3.76 5.54 0.00 0.13 -4.95 105.19 113.89 2tun n GLY 129 Ca 0.17 -0.14 -0.36 0.00 0.00 0.00 0.00 46.02 45.69 2tun n GLY 129 CO 0.00 0.00 0.00 0.99 0.00 0.00 0.00 173.32 174.31 2tun s ASP 130 N -3.42 6.41 -0.49 1.61 1.11 -1.19 -4.68 116.67 116.02 2tun s ASP 130 Ca 0.20 0.48 -0.19 0.00 0.18 0.00 0.00 52.55 53.22 2tun s ASP 130 Cb -0.09 -2.15 0.05 0.00 1.07 0.00 0.00 42.92 41.80 2tun s ASP 130 CO 0.42 0.18 0.62 -0.13 1.18 0.00 0.00 175.17 177.44 2tun s ARG 131 N 0.09 3.14 -0.30 8.23 0.52 0.91 0.13 118.95 131.67 2tun s ARG 131 Ca 0.15 -0.81 -0.11 0.00 -0.52 0.00 0.00 55.73 54.43 2tun s ARG 131 Cb -0.13 -4.07 -0.04 0.00 0.52 0.00 0.00 34.95 31.23 2tun s ARG 131 CO 0.03 -1.17 0.20 -0.51 0.02 0.00 0.00 175.30 173.87 2tun s LEU 132 N 2.63 4.15 -0.22 2.53 1.43 0.12 -1.16 118.68 128.16 2tun s LEU 132 Ca 0.16 -0.16 -0.03 0.00 -1.03 0.00 0.00 54.13 53.08 2tun s LEU 132 Cb -0.18 -2.11 0.01 0.00 0.03 0.00 0.00 46.19 43.93 2tun s LEU 132 CO 0.13 -0.11 -0.07 -0.44 0.23 0.00 0.00 176.35 176.09 2tun s SER 133 N 1.74 4.13 -0.33 2.29 0.01 -0.18 -1.18 113.70 120.17 2tun s SER 133 Ca 0.07 -0.58 -0.14 0.00 1.31 0.00 0.00 55.95 56.61 2tun s SER 133 Cb -0.16 -1.68 -0.02 0.00 0.21 0.00 0.00 66.02 64.37 2tun s SER 133 CO 0.10 -0.05 0.29 0.00 0.41 0.00 0.00 173.24 173.99 2tun s ALA 134 N 1.41 3.51 -0.00 1.44 0.00 -1.25 -0.35 121.76 126.51 2tun s ALA 134 Ca 0.04 -1.24 0.02 0.00 0.00 0.00 0.00 51.96 50.78 2tun s ALA 134 Cb -0.15 -2.71 -0.01 0.00 0.00 0.00 0.00 23.12 20.26 2tun s ALA 134 CO -0.05 -0.94 -0.07 -1.21 0.00 0.00 0.00 175.76 173.50 2tun s GLU 135 N 1.87 0.53 -0.18 0.00 2.02 0.42 -4.95 118.70 118.40 2tun s GLU 135 Ca 0.09 -0.25 -0.04 0.00 0.02 0.00 0.00 54.97 54.80 2tun s GLU 135 Cb -0.17 -0.51 -0.02 0.00 0.10 0.00 0.00 34.13 33.53 2tun s GLU 135 CO 0.11 0.14 -0.04 0.96 0.02 0.00 0.00 175.26 176.45 2tun s ILE 136 N -0.18 3.65 0.43 -1.63 -4.36 -1.26 -1.06 121.20 116.79 2tun s ILE 136 Ca 0.02 -0.42 0.19 0.00 -0.26 0.00 0.00 60.65 60.17 2tun s ILE 136 Cb -0.03 -2.62 0.21 0.00 1.25 0.00 0.00 42.46 41.27 2tun s ILE 136 CO -0.00 0.46 2.01 -0.55 0.24 0.00 0.00 174.94 177.09 2tun h ASN 137 N 7.36 0.00 -3.54 4.36 -1.07 -1.94 -3.35 115.58 117.40 2tun h ASN 137 Ca -0.35 0.00 -0.62 0.00 0.07 0.00 0.00 56.30 55.41 2tun h ASN 137 Cb 1.18 0.00 -0.40 0.00 -2.07 0.00 0.00 38.32 37.03 2tun h ASN 137 CO 0.60 0.18 -0.73 -0.13 0.07 0.00 0.00 177.43 177.42 2tun s ARG 138 N -4.46 1.23 0.00 4.14 0.52 -1.26 -4.99 118.95 114.13 2tun s ARG 138 Ca -0.04 -1.76 0.13 0.00 -0.52 0.00 0.00 55.73 53.54 2tun s ARG 138 Cb 0.15 -2.53 0.61 0.00 0.52 0.00 0.00 34.95 33.70 2tun s ARG 138 CO 0.66 -1.05 1.37 -0.35 0.02 0.00 0.00 175.30 175.95 2tun n PRO 139 N 4.05 0.10 -0.03 3.54 -0.04 -1.26 -3.45 135.00 137.90 2tun n PRO 139 Ca 0.04 0.22 -0.13 0.00 -0.04 0.00 0.00 63.50 63.58 2tun n PRO 139 Cb 0.38 -1.50 -0.11 0.00 -0.04 0.00 0.00 33.50 32.24 2tun n PRO 139 CO 0.00 0.00 0.00 0.38 -0.04 0.00 0.00 175.50 175.84 2tun h ASP 140 N 0.00 0.04 -2.39 3.54 3.04 -1.89 -3.31 116.42 115.45 2tun h ASP 140 Ca 0.00 -0.63 -0.54 0.00 -3.24 0.00 0.00 57.03 52.63 2tun h ASP 140 Cb 0.17 -0.01 -0.08 0.00 -1.04 0.00 0.00 39.33 38.37 2tun h ASP 140 CO 0.00 0.66 1.08 -0.31 -2.04 0.00 0.00 179.24 178.63 2tun s TYR 141 N -3.70 2.25 0.00 4.15 2.02 -1.22 -4.86 117.35 115.98 2tun s TYR 141 Ca -0.16 0.06 0.00 0.00 -0.37 0.00 0.00 57.07 56.60 2tun s TYR 141 Cb 0.01 -4.57 0.00 0.00 -0.40 0.00 0.00 41.96 36.99 2tun s TYR 141 CO 0.69 -2.07 0.00 1.28 -1.57 0.00 0.00 175.55 173.88 2tun n LEU 142 N 9.60 0.00 -3.29 -1.29 4.77 -1.26 -4.48 117.00 121.06 2tun n LEU 142 Ca 0.05 0.00 0.03 0.00 -0.03 0.00 0.00 56.01 56.06 2tun n LEU 142 Cb 0.49 0.00 -0.04 0.00 -2.33 0.00 0.00 43.42 41.55 2tun n LEU 142 CO 0.71 0.00 0.69 -0.22 -1.33 0.00 0.00 177.39 177.25 2tun s LEU 143 N 0.00 -0.41 0.00 2.23 0.20 -1.22 -1.74 118.68 117.74 2tun s LEU 143 Ca 0.00 0.50 0.14 0.00 0.69 0.00 0.00 54.13 55.46 2tun s LEU 143 Cb 0.00 1.44 0.38 0.00 -0.43 0.00 0.00 46.19 47.58 2tun s LEU 143 CO 0.00 -0.08 1.31 0.49 -0.29 0.00 0.00 176.35 177.78 2tun n PHE 144 N 4.94 0.57 -2.72 5.38 3.72 -1.26 -4.65 117.46 123.44 2tun n PHE 144 Ca -0.08 -0.48 -0.43 0.00 -0.05 0.00 0.00 57.45 56.41 2tun n PHE 144 Cb 0.54 -0.02 0.01 0.00 -0.94 0.00 0.00 39.48 39.06 2tun n PHE 144 CO 0.00 0.00 0.00 0.00 -0.05 0.00 0.00 176.76 176.71 2tun n ALA 145 N 0.80 5.02 -3.00 4.37 0.00 -1.26 -4.79 120.51 121.66 2tun n ALA 145 Ca 0.15 -4.50 0.00 0.00 0.00 0.00 0.00 53.44 49.08 2tun n ALA 145 Cb 0.47 -2.73 0.00 0.00 0.00 0.00 0.00 19.45 17.19 2tun n ALA 145 CO 0.00 0.00 0.00 -0.85 0.00 0.00 0.00 177.50 176.65 2tun n GLU 146 N 3.13 0.00 0.07 0.00 0.28 -1.26 -5.03 120.64 117.83 2tun n GLU 146 Ca 0.33 0.00 0.00 0.00 -0.16 0.00 0.00 57.16 57.33 2tun n GLU 146 Cb 0.36 0.00 0.00 0.00 1.43 0.00 0.00 31.44 33.23 2tun n GLU 146 CO 0.00 0.00 0.00 0.45 -0.16 0.00 0.00 177.13 177.42 2tun n SER 147 N -0.59 -0.03 -3.26 -1.84 2.88 -1.26 -4.98 113.62 104.53 2tun n SER 147 Ca 0.00 0.24 -0.25 0.00 -1.33 0.00 0.00 58.87 57.53 2tun n SER 147 Cb 0.00 0.18 -0.08 0.00 -0.75 0.00 0.00 64.21 63.56 2tun n SER 147 CO 0.00 0.00 0.00 0.61 -1.23 0.00 0.00 175.04 174.42 2tun n GLY 148 N 1.67 2.85 0.23 0.46 0.00 -1.26 -4.89 105.19 104.25 2tun n GLY 148 Ca 0.00 -1.61 -0.09 0.00 0.00 0.00 0.00 46.02 44.32 2tun n GLY 148 CO 0.00 0.00 0.00 -1.06 0.00 0.00 0.00 173.32 172.26 2tun n GLN 149 N 1.69 0.26 -5.07 1.61 6.02 -1.26 -5.02 117.38 115.61 2tun n GLN 149 Ca 0.24 0.07 -0.30 0.00 -0.01 0.00 0.00 57.00 57.00 2tun n GLN 149 Cb 0.51 -1.12 -0.17 0.00 1.02 0.00 0.00 30.24 30.48 2tun n GLN 149 CO 0.00 0.00 0.00 0.08 -1.01 0.00 0.00 177.06 176.13 2tun s VAL 150 N -2.21 1.82 -0.44 5.09 1.01 -1.26 -3.56 120.40 120.85 2tun s VAL 150 Ca -0.15 -0.89 0.00 0.00 0.00 0.00 0.00 61.98 60.94 2tun s VAL 150 Cb 0.04 -1.57 0.00 0.00 0.00 0.00 0.00 36.38 34.85 2tun s VAL 150 CO 0.23 0.51 0.00 0.00 0.00 0.00 0.00 175.10 175.84 2tun n TYR 151 N 3.43 0.00 -4.05 5.22 0.18 -0.47 -3.56 117.16 117.91 2tun n TYR 151 Ca -0.19 0.00 -0.10 0.00 1.88 0.00 0.00 57.90 59.49 2tun n TYR 151 Cb 0.53 0.00 -0.08 0.00 -0.38 0.00 0.00 39.34 39.40 2tun n TYR 151 CO 0.00 0.00 0.00 0.12 -2.08 0.00 0.00 176.86 174.90 2tun s PHE 152 N -3.00 0.61 -0.29 -3.48 5.36 0.25 -3.35 117.98 114.09 2tun s PHE 152 Ca 0.00 -0.98 -0.28 0.00 -0.96 0.00 0.00 56.93 54.71 2tun s PHE 152 Cb 0.00 -0.26 0.19 0.00 -0.34 0.00 0.00 43.02 42.61 2tun s PHE 152 CO 0.00 -0.62 1.37 0.20 -1.46 0.00 0.00 175.22 174.71 2tun s GLY 153 N -3.00 0.16 0.01 13.12 0.00 0.11 -2.35 107.32 115.36 2tun s GLY 153 Ca 0.20 3.02 -0.12 0.00 0.00 0.00 0.00 44.72 47.83 2tun s GLY 153 CO 0.01 1.37 0.25 -0.26 0.00 0.00 0.00 173.10 174.46 2tun s ILE 154 N -0.69 0.08 -0.08 0.90 -5.25 0.34 0.00 121.20 116.52 2tun s ILE 154 Ca 0.08 -0.66 -0.06 0.00 -0.99 0.00 0.00 60.65 59.01 2tun s ILE 154 Cb -0.02 -0.72 0.02 0.00 2.95 0.00 0.00 42.46 44.69 2tun s ILE 154 CO -0.10 -0.37 0.20 -0.51 -1.79 0.00 0.00 174.94 172.37 2tun s ILE 155 N -1.90 -0.01 0.89 8.37 1.10 -0.99 -1.18 121.20 127.49 2tun s ILE 155 Ca -0.10 0.02 -0.13 0.00 -0.51 0.00 0.00 60.65 59.93 2tun s ILE 155 Cb -0.04 -0.28 0.13 0.00 0.15 0.00 0.00 42.46 42.42 2tun s ILE 155 CO 0.00 0.01 1.17 0.00 -2.11 0.00 0.00 174.94 174.02 2tun s ALA 156 N 0.25 2.09 0.00 1.50 0.00 -0.10 -1.53 121.76 123.98 2tun s ALA 156 Ca -0.01 -0.68 0.00 0.00 0.00 0.00 0.00 51.96 51.27 2tun s ALA 156 Cb -0.03 -2.97 0.00 0.00 0.00 0.00 0.00 23.12 20.13 2tun s ALA 156 CO -0.01 -2.15 0.07 1.28 0.00 0.00 0.00 175.76 174.95