#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 -0.85 1.09 -0.01 -1.26 -5.12 135.00 128.85 2tun n PRO 8 Ca 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 63.50 63.49 2tun n PRO 8 Cb 0.00 0.00 0.00 0.00 -0.01 0.00 0.00 33.50 33.49 2tun n PRO 8 CO 0.00 0.00 0.00 0.43 -0.01 0.00 0.00 175.50 175.92 2tun n SER 9 N 0.00 -3.69 -4.31 2.55 7.64 -1.26 -4.82 113.62 109.73 2tun n SER 9 Ca 0.00 0.33 -0.44 0.00 1.01 0.00 0.00 58.87 59.78 2tun n SER 9 Cb 0.00 -1.88 0.00 0.00 -1.01 0.00 0.00 64.21 61.32 2tun n SER 9 CO 0.00 0.00 0.00 -0.67 -3.01 0.00 0.00 175.04 171.36 2tun n ASP 10 N 0.42 5.22 -3.63 6.43 2.03 -1.26 -4.87 116.55 120.89 2tun n ASP 10 Ca 0.00 -3.02 -0.24 0.00 0.52 0.00 0.00 54.79 52.06 2tun n ASP 10 Cb 0.00 -1.54 -0.17 0.00 -0.72 0.00 0.00 41.12 38.69 2tun n ASP 10 CO 0.00 0.00 0.00 -0.54 -1.92 0.00 0.00 177.20 174.74 2tun s LYS 11 N 1.11 0.02 -0.26 -0.67 3.01 -1.26 -5.09 119.74 116.61 2tun s LYS 11 Ca 0.42 0.10 -0.28 0.00 -1.01 0.00 0.00 55.97 55.19 2tun s LYS 11 Cb 0.00 -1.34 -0.04 0.00 -1.01 0.00 0.00 37.83 35.44 2tun s LYS 11 CO 0.00 -0.55 2.12 -2.14 0.51 0.00 0.00 175.35 175.29 2tun s PRO 12 N 2.16 3.14 -0.00 -1.68 0.02 -1.26 -4.83 135.00 132.55 2tun s PRO 12 Ca 0.03 1.84 0.01 0.00 0.02 0.00 0.00 61.00 62.91 2tun s PRO 12 Cb -0.15 -4.34 -0.00 0.00 0.02 0.00 0.00 34.50 30.03 2tun s PRO 12 CO -0.07 -2.09 -0.04 0.54 -0.33 0.00 0.00 177.00 175.01 2tun s VAL 13 N 8.09 0.35 0.11 3.83 0.11 -1.26 -2.85 120.40 128.78 2tun s VAL 13 Ca 0.95 -0.22 0.10 0.00 -2.93 0.00 0.00 61.98 59.88 2tun s VAL 13 Cb -0.30 -0.31 -0.04 0.00 -1.53 0.00 0.00 36.38 34.21 2tun s VAL 13 CO 0.34 0.08 -0.25 0.00 -3.33 0.00 0.00 175.10 171.94 2tun s ALA 14 N -0.16 2.19 -0.26 1.54 0.00 0.17 -3.39 121.76 121.87 2tun s ALA 14 Ca 0.01 -1.37 -0.02 0.00 0.00 0.00 0.00 51.96 50.59 2tun s ALA 14 Cb -0.02 -0.36 0.12 0.00 0.00 0.00 0.00 23.12 22.86 2tun s ALA 14 CO -0.00 0.49 0.28 -1.58 0.00 0.00 0.00 175.76 174.95 2tun s HIS 15 N -1.03 -0.45 -0.33 0.00 2.46 -0.89 -1.50 115.29 113.55 2tun s HIS 15 Ca 0.12 0.07 0.03 0.00 0.47 0.00 0.00 55.06 55.75 2tun s HIS 15 Cb -0.10 -0.37 0.09 0.00 -0.13 0.00 0.00 32.58 32.07 2tun s HIS 15 CO 0.05 -0.80 0.04 0.08 -2.47 0.00 0.00 174.74 171.63 2tun s VAL 16 N 2.37 2.38 0.16 0.89 1.01 0.70 -2.71 120.40 125.20 2tun s VAL 16 Ca 0.09 -2.18 -0.30 0.00 0.00 0.00 0.00 61.98 59.59 2tun s VAL 16 Cb -0.15 -2.68 -0.07 0.00 0.00 0.00 0.00 36.38 33.49 2tun s VAL 16 CO -0.25 -0.50 0.97 -0.69 0.00 0.00 0.00 175.10 174.64 2tun s VAL 17 N 0.97 4.27 0.29 2.92 1.01 -0.98 -0.31 120.40 128.58 2tun s VAL 17 Ca 0.07 2.01 -0.30 0.00 0.00 0.00 0.00 61.98 63.76 2tun s VAL 17 Cb -0.20 -4.28 -0.11 0.00 0.00 0.00 0.00 36.38 31.79 2tun s VAL 17 CO -0.07 0.37 1.54 0.00 0.00 0.00 0.00 175.10 176.94 2tun s ALA 18 N -0.41 3.70 0.05 5.51 0.00 -0.24 -1.16 121.76 129.21 2tun s ALA 18 Ca 0.45 1.51 -0.25 0.00 0.00 0.00 0.00 51.96 53.68 2tun s ALA 18 Cb -0.25 -3.62 -0.06 0.00 0.00 0.00 0.00 23.12 19.19 2tun s ALA 18 CO 0.31 -0.93 0.75 1.21 0.00 0.00 0.00 175.76 177.11 2tun s ASN 19 N 0.38 7.20 -0.20 0.00 3.84 0.20 -4.82 114.94 121.55 2tun s ASN 19 Ca 0.61 1.44 0.05 0.00 0.21 0.00 0.00 52.86 55.17 2tun s ASN 19 Cb -0.46 -2.46 0.42 0.00 -0.55 0.00 0.00 41.25 38.20 2tun s ASN 19 CO 0.48 0.04 1.38 -0.81 -2.79 0.00 0.00 177.10 175.40 2tun n PRO 20 N 2.71 2.39 0.00 0.43 -0.04 -1.26 -4.24 135.00 134.99 2tun n PRO 20 Ca -0.03 -1.74 0.00 0.00 -0.04 0.00 0.00 63.50 61.69 2tun n PRO 20 Cb 0.50 -1.79 0.00 0.00 -0.04 0.00 0.00 33.50 32.17 2tun n PRO 20 CO 0.00 0.00 0.00 1.04 -0.04 0.00 0.00 175.50 176.50 2tun n GLN 21 N -0.08 0.00 -2.22 0.54 3.00 -1.26 -4.80 117.38 112.56 2tun n GLN 21 Ca 0.26 0.28 -0.36 0.00 -0.01 0.00 0.00 57.00 57.17 2tun n GLN 21 Cb 1.00 -0.76 -0.04 0.00 0.00 0.00 0.00 30.24 30.44 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 -3.11 2.21 -1.01 -1.58 0.00 -1.26 -4.92 121.76 112.09 2tun s ALA 22 Ca 0.00 -1.33 -0.26 0.00 0.00 0.00 0.00 51.96 50.38 2tun s ALA 22 Cb 0.00 -4.41 -0.17 0.00 0.00 0.00 0.00 23.12 18.54 2tun s ALA 22 CO 0.00 -4.03 2.15 -1.21 0.00 0.00 0.00 175.76 172.67 2tun s GLU 23 N 6.44 1.61 0.00 0.00 2.02 -1.26 -2.82 118.70 124.69 2tun s GLU 23 Ca 0.59 -0.30 0.00 0.00 0.02 0.00 0.00 54.97 55.27 2tun s GLU 23 Cb -0.08 -4.98 0.00 0.00 0.10 0.00 0.00 34.13 29.17 2tun s GLU 23 CO 0.08 -4.82 0.00 0.41 0.02 0.00 0.00 175.26 170.95 2tun n GLY 24 N 6.33 -0.78 1.78 -1.39 0.00 -1.26 -5.06 105.19 104.81 2tun n GLY 24 Ca 0.43 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.45 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 0.00 0.00 -0.10 1.61 10.64 -1.13 -4.58 117.38 123.83 2tun n GLN 25 Ca 0.00 0.00 0.00 0.00 -1.83 0.00 0.00 57.00 55.17 2tun n GLN 25 Cb 0.00 -0.11 0.00 0.00 -0.86 0.00 0.00 30.24 29.27 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 -3.09 -0.33 -3.86 2.61 7.94 -1.26 -4.81 117.00 114.20 2tun n LEU 26 Ca 0.00 0.00 -0.25 0.00 -1.11 0.00 0.00 56.01 54.65 2tun n LEU 26 Cb 0.05 -0.16 -0.17 0.00 0.53 0.00 0.00 43.42 43.67 2tun n LEU 26 CO 0.00 0.00 -0.42 -1.58 -1.11 0.00 0.00 177.39 174.28 2tun s GLN 27 N -2.69 1.12 0.31 1.96 0.74 -1.26 -5.02 119.66 114.82 2tun s GLN 27 Ca 0.00 -0.11 -0.29 0.00 0.05 0.00 0.00 55.36 55.02 2tun s GLN 27 Cb 0.00 -1.28 -0.10 0.00 1.10 0.00 0.00 33.01 32.73 2tun s GLN 27 CO 0.00 -0.26 1.20 -1.58 -0.55 0.00 0.00 175.29 174.11 2tun s TRP 28 N 1.71 3.29 0.02 1.67 0.52 -1.26 0.61 118.94 125.50 2tun s TRP 28 Ca 0.03 1.55 0.02 0.00 0.02 0.00 0.00 56.10 57.73 2tun s TRP 28 Cb -0.13 -3.48 -0.02 0.00 -1.15 0.00 0.00 33.47 28.70 2tun s TRP 28 CO -0.06 -1.23 -0.08 -1.17 0.02 0.00 0.00 176.95 174.43 2tun s LEU 29 N -1.69 2.14 0.21 2.99 0.20 -0.31 -4.78 118.68 117.44 2tun s LEU 29 Ca 0.48 -0.36 0.08 0.00 0.69 0.00 0.00 54.13 55.02 2tun s LEU 29 Cb -0.36 -0.28 -0.04 0.00 -0.43 0.00 0.00 46.19 45.08 2tun s LEU 29 CO 0.47 -0.06 0.00 0.21 -0.29 0.00 0.00 176.35 176.68 2tun s ASN 30 N -0.93 4.70 -0.06 3.68 2.47 -1.26 -2.31 114.94 121.24 2tun s ASN 30 Ca -0.03 -0.48 0.00 0.00 0.42 0.00 0.00 52.86 52.77 2tun s ASN 30 Cb -0.07 -0.96 0.00 0.00 -1.45 0.00 0.00 41.25 38.77 2tun s ASN 30 CO 0.00 0.05 0.00 0.54 -3.72 0.00 0.00 177.10 173.98 2tun n ARG 31 N -0.42 -0.17 -2.99 0.43 1.74 -1.26 -4.94 116.66 109.04 2tun n ARG 31 Ca -0.09 0.19 -0.44 0.00 -0.77 0.00 0.00 57.85 56.74 2tun n ARG 31 Cb 0.57 -3.45 -0.01 0.00 -1.02 0.00 0.00 32.46 28.55 2tun n ARG 31 CO 0.00 0.00 0.00 0.50 -1.52 0.00 0.00 177.63 176.61 2tun s ARG 32 N -0.72 3.94 3.85 5.56 3.52 -1.26 -4.84 118.95 129.01 2tun s ARG 32 Ca 0.00 -2.41 0.00 0.00 -0.13 0.00 0.00 55.73 53.19 2tun s ARG 32 Cb 0.00 -4.95 0.00 0.00 -1.56 0.00 0.00 34.95 28.44 2tun s ARG 32 CO 0.00 -1.70 0.00 0.00 -0.81 0.00 0.00 175.30 172.79 2tun n ALA 33 N 5.56 0.00 -3.68 6.12 0.00 -1.26 -4.38 120.51 122.87 2tun n ALA 33 Ca 0.31 0.00 -0.33 0.00 0.00 0.00 0.00 53.44 53.42 2tun n ALA 33 Cb 0.44 0.00 -0.16 0.00 0.00 0.00 0.00 19.45 19.74 2tun n ALA 33 CO 0.00 0.00 0.00 1.21 0.00 0.00 0.00 177.50 178.71 2tun s ASN 34 N -4.00 3.39 0.00 0.00 3.84 -1.26 -5.07 114.94 111.84 2tun s ASN 34 Ca 0.00 -0.55 0.00 0.00 0.21 0.00 0.00 52.86 52.52 2tun s ASN 34 Cb 0.00 -1.51 0.00 0.00 -0.55 0.00 0.00 41.25 39.19 2tun s ASN 34 CO 0.00 0.06 0.00 0.00 -2.79 0.00 0.00 177.10 174.37 2tun n ALA 35 N 4.24 0.00 -3.38 1.71 0.00 -1.26 -4.96 120.51 116.85 2tun n ALA 35 Ca -0.20 0.00 -0.13 0.00 0.00 0.00 0.00 53.44 53.11 2tun n ALA 35 Cb 0.51 0.00 -0.09 0.00 0.00 0.00 0.00 19.45 19.87 2tun n ALA 35 CO 0.00 0.00 0.00 -1.17 0.00 0.00 0.00 177.50 176.33 2tun s LEU 36 N 0.00 0.14 -0.45 0.00 1.98 -1.10 -4.90 118.68 114.36 2tun s LEU 36 Ca 0.00 0.96 0.05 0.00 -2.89 0.00 0.00 54.13 52.25 2tun s LEU 36 Cb 0.00 1.68 0.28 0.00 0.66 0.00 0.00 46.19 48.81 2tun s LEU 36 CO 0.00 -0.18 1.06 -0.11 -1.89 0.00 0.00 176.35 175.23 2tun n LEU 37 N 2.75 -2.38 -4.59 -0.68 7.94 -1.22 -2.09 117.00 116.73 2tun n LEU 37 Ca -0.14 -3.21 -0.27 0.00 -1.11 0.00 0.00 56.01 51.28 2tun n LEU 37 Cb 0.57 0.87 -0.10 0.00 0.53 0.00 0.00 43.42 45.29 2tun n LEU 37 CO 0.11 1.96 -0.27 0.00 -1.11 0.00 0.00 177.39 178.08 2tun s ALA 38 N 0.41 3.10 -0.09 1.96 0.00 -1.25 -4.86 121.76 121.04 2tun s ALA 38 Ca 0.26 -1.74 -0.02 0.00 0.00 0.00 0.00 51.96 50.47 2tun s ALA 38 Cb 0.26 0.35 0.00 0.00 0.00 0.00 0.00 23.12 23.73 2tun s ALA 38 CO -0.15 -0.18 0.03 0.27 0.00 0.00 0.00 175.76 175.74 2tun n ASN 39 N -0.98 -0.17 0.00 0.00 6.94 -1.26 -2.09 115.26 117.69 2tun n ASN 39 Ca -0.07 -0.09 0.00 0.00 -0.02 0.00 0.00 54.58 54.40 2tun n ASN 39 Cb 0.67 -0.11 0.00 0.00 -2.36 0.00 0.00 39.78 37.98 2tun n ASN 39 CO 0.00 0.00 0.00 0.61 -1.03 0.00 0.00 177.26 176.84 2tun n GLY 40 N -1.04 2.52 3.68 4.83 0.00 -1.26 -4.02 105.19 109.90 2tun n GLY 40 Ca -0.01 -0.60 -0.45 0.00 0.00 0.00 0.00 46.02 44.96 2tun n GLY 40 CO 0.00 0.00 0.00 1.55 0.00 0.00 0.00 173.32 174.87 2tun n VAL 41 N 0.00 0.30 -4.14 1.61 3.14 -0.89 -4.74 118.33 113.61 2tun n VAL 41 Ca 0.00 -0.05 -0.09 0.00 -2.96 0.00 0.00 64.34 61.23 2tun n VAL 41 Cb 0.00 -1.87 -0.10 0.00 -1.06 0.00 0.00 33.84 30.81 2tun n VAL 41 CO 0.00 0.00 0.00 -1.61 -6.46 0.00 0.00 176.83 168.76 2tun s GLU 42 N 2.47 0.78 0.03 1.45 2.02 -1.24 -3.74 118.70 120.47 2tun s GLU 42 Ca 0.84 -1.32 0.09 0.00 0.02 0.00 0.00 54.97 54.60 2tun s GLU 42 Cb -0.60 -0.01 -0.03 0.00 0.10 0.00 0.00 34.13 33.59 2tun s GLU 42 CO 0.41 -0.09 -0.26 -1.17 0.02 0.00 0.00 175.26 174.18 2tun s LEU 43 N -3.01 2.17 0.00 1.80 2.96 -1.26 -1.51 118.68 119.83 2tun s LEU 43 Ca 0.12 -0.55 0.00 0.00 -0.22 0.00 0.00 54.13 53.49 2tun s LEU 43 Cb 0.07 -1.32 0.00 0.00 0.50 0.00 0.00 46.19 45.44 2tun s LEU 43 CO -0.05 0.28 0.00 -1.14 -1.32 0.00 0.00 176.35 174.11 2tun n ARG 44 N 1.94 0.00 -3.53 1.98 3.00 -0.94 -4.98 116.66 114.13 2tun n ARG 44 Ca -0.17 0.00 -0.40 0.00 -0.00 0.00 0.00 57.85 57.28 2tun n ARG 44 Cb 0.52 0.00 -0.05 0.00 0.00 0.00 0.00 32.46 32.92 2tun n ARG 44 CO 0.00 0.00 0.00 -0.51 0.00 0.00 0.00 177.63 177.12 2tun s ASP 45 N 1.00 6.17 -1.96 6.15 1.01 -1.26 -4.70 116.67 123.07 2tun s ASP 45 Ca 0.00 -3.17 0.00 0.00 0.71 0.00 0.00 52.55 50.09 2tun s ASP 45 Cb 0.00 -2.02 0.00 0.00 1.01 0.00 0.00 42.92 41.91 2tun s ASP 45 CO 0.00 -0.36 0.00 -3.20 0.21 0.00 0.00 175.17 171.82 2tun n ASN 46 N 3.17 -5.40 -3.57 0.27 5.15 -1.26 -4.95 115.26 108.66 2tun n ASN 46 Ca 0.16 0.36 -0.17 0.00 -0.60 0.00 0.00 54.58 54.33 2tun n ASN 46 Cb 0.40 -4.57 -0.07 0.00 -0.53 0.00 0.00 39.78 35.02 2tun n ASN 46 CO 0.00 0.00 0.00 0.00 1.40 0.00 0.00 177.26 178.66 2tun s GLN 47 N -3.97 0.96 -0.18 1.20 -2.07 -1.26 -4.52 119.66 109.81 2tun s GLN 47 Ca 0.00 0.35 -0.18 0.00 -1.82 0.00 0.00 55.36 53.71 2tun s GLN 47 Cb 0.00 0.45 -0.04 0.00 -1.09 0.00 0.00 33.01 32.34 2tun s GLN 47 CO 0.00 -0.26 0.47 -0.51 -1.32 0.00 0.00 175.29 173.67 2tun s LEU 48 N -0.88 4.18 -0.30 2.60 2.01 -0.19 -2.21 118.68 123.89 2tun s LEU 48 Ca -0.09 0.66 -0.17 0.00 0.01 0.00 0.00 54.13 54.54 2tun s LEU 48 Cb -0.02 -2.64 -0.02 0.00 0.01 0.00 0.00 46.19 43.52 2tun s LEU 48 CO 0.07 -0.10 0.49 0.68 1.01 0.00 0.00 176.35 178.50 2tun s VAL 49 N 1.26 5.06 -0.28 -1.59 -7.23 -0.57 -0.20 120.40 116.86 2tun s VAL 49 Ca 0.23 0.59 -0.22 0.00 -1.81 0.00 0.00 61.98 60.78 2tun s VAL 49 Cb -0.15 -3.86 -0.01 0.00 0.56 0.00 0.00 36.38 32.92 2tun s VAL 49 CO 0.09 -0.03 0.69 -0.69 -0.31 0.00 0.00 175.10 174.85 2tun s VAL 50 N 2.30 4.91 0.83 1.32 1.01 0.20 -3.66 120.40 127.32 2tun s VAL 50 Ca 0.19 1.13 -0.14 0.00 0.00 0.00 0.00 61.98 63.16 2tun s VAL 50 Cb -0.16 -4.03 0.20 0.00 0.00 0.00 0.00 36.38 32.40 2tun s VAL 50 CO 0.11 -0.09 0.94 -0.81 0.00 0.00 0.00 175.10 175.25 2tun n PRO 51 N 5.91 -1.71 0.00 2.72 -0.05 -1.26 0.15 135.00 140.77 2tun n PRO 51 Ca 0.01 -1.47 0.00 0.00 -0.05 0.00 0.00 63.50 61.99 2tun n PRO 51 Cb 0.48 -1.14 0.00 0.00 -0.05 0.00 0.00 33.50 32.80 2tun n PRO 51 CO 0.00 0.00 0.00 0.45 -0.05 0.00 0.00 175.50 175.90 2tun n SER 52 N -3.99 0.00 0.00 3.54 2.88 -1.26 -4.21 113.62 110.58 2tun n SER 52 Ca 0.12 0.00 0.00 0.00 -1.33 0.00 0.00 58.87 57.66 2tun n SER 52 Cb 0.45 0.00 0.00 0.00 -0.75 0.00 0.00 64.21 63.91 2tun n SER 52 CO 0.00 0.00 0.00 -1.84 -1.23 0.00 0.00 175.04 171.97 2tun n GLU 53 N 0.00 0.00 0.00 -1.46 -0.00 -1.26 -1.10 120.64 116.82 2tun n GLU 53 Ca 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 57.16 57.16 2tun n GLU 53 Cb 0.00 0.00 0.00 0.00 -0.00 0.00 0.00 31.44 31.44 2tun n GLU 53 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.13 177.54 2tun n GLY 54 N 0.00 -1.83 3.31 -1.84 0.00 -0.93 -4.70 105.19 99.19 2tun n GLY 54 Ca 0.00 -1.71 -0.45 0.00 0.00 0.00 0.00 46.02 43.86 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 6.47 -0.11 0.99 1.43 -1.21 -0.18 118.68 126.09 2tun s LEU 55 Ca 0.00 -3.10 -0.11 0.00 -1.03 0.00 0.00 54.13 49.89 2tun s LEU 55 Cb 0.00 -2.18 -0.05 0.00 0.03 0.00 0.00 46.19 44.00 2tun s LEU 55 CO 0.00 -0.43 0.25 -0.31 0.23 0.00 0.00 176.35 176.08 2tun s TYR 56 N -0.48 3.58 -0.24 0.29 1.51 0.01 -2.47 117.35 119.55 2tun s TYR 56 Ca 0.23 0.65 -0.22 0.00 -1.01 0.00 0.00 57.07 56.72 2tun s TYR 56 Cb -0.10 -2.15 -0.02 0.00 -0.11 0.00 0.00 41.96 39.58 2tun s TYR 56 CO -0.08 0.55 0.70 -1.17 -1.11 0.00 0.00 175.55 174.44 2tun s LEU 57 N -0.54 4.09 0.06 -1.29 0.20 0.32 0.68 118.68 122.20 2tun s LEU 57 Ca 0.17 0.86 0.01 0.00 0.69 0.00 0.00 54.13 55.85 2tun s LEU 57 Cb -0.13 -2.99 -0.04 0.00 -0.43 0.00 0.00 46.19 42.60 2tun s LEU 57 CO 0.06 -0.41 0.18 -0.51 -0.29 0.00 0.00 176.35 175.38 2tun s ILE 58 N 2.51 5.20 -0.30 6.68 2.07 -0.71 -1.07 121.20 135.59 2tun s ILE 58 Ca 0.30 -0.46 -0.16 0.00 -1.41 0.00 0.00 60.65 58.91 2tun s ILE 58 Cb -0.16 -3.53 0.18 0.00 0.13 0.00 0.00 42.46 39.09 2tun s ILE 58 CO 0.09 0.15 1.12 -0.72 -1.91 0.00 0.00 174.94 173.66 2tun s TYR 59 N -1.47 -0.36 -0.02 3.50 -0.85 -0.41 -2.75 117.35 114.99 2tun s TYR 59 Ca 0.33 0.67 0.00 0.00 -0.52 0.00 0.00 57.07 57.56 2tun s TYR 59 Cb -0.13 0.22 0.02 0.00 0.38 0.00 0.00 41.96 42.45 2tun s TYR 59 CO 0.26 -0.18 0.00 0.45 -1.52 0.00 0.00 175.55 174.56 2tun s SER 60 N 1.66 0.30 0.03 -0.18 0.15 -1.09 -0.51 113.70 114.06 2tun s SER 60 Ca -0.05 -0.02 0.06 0.00 0.70 0.00 0.00 55.95 56.64 2tun s SER 60 Cb -0.03 -0.14 -0.03 0.00 -1.71 0.00 0.00 66.02 64.10 2tun s SER 60 CO -0.14 -0.07 -0.15 -1.58 1.20 0.00 0.00 173.24 172.49 2tun s GLN 61 N 0.75 2.20 -0.19 5.44 2.00 0.17 -3.17 119.66 126.86 2tun s GLN 61 Ca -0.07 -0.91 -0.08 0.00 -2.00 0.00 0.00 55.36 52.29 2tun s GLN 61 Cb -0.10 -2.27 0.07 0.00 0.80 0.00 0.00 33.01 31.51 2tun s GLN 61 CO -0.02 0.56 0.42 0.14 -0.50 0.00 0.00 175.29 175.89 2tun s VAL 62 N -0.94 -0.31 -0.18 1.34 -7.23 -1.19 -2.15 120.40 109.73 2tun s VAL 62 Ca 0.15 0.12 -0.01 0.00 -1.81 0.00 0.00 61.98 60.44 2tun s VAL 62 Cb -0.11 -0.65 0.00 0.00 0.56 0.00 0.00 36.38 36.19 2tun s VAL 62 CO 0.06 0.05 -0.12 -0.22 -0.31 0.00 0.00 175.10 174.56 2tun s LEU 63 N 1.96 2.55 -0.57 1.32 0.20 -1.00 -1.03 118.68 122.12 2tun s LEU 63 Ca -0.06 -0.48 -0.20 0.00 0.69 0.00 0.00 54.13 54.08 2tun s LEU 63 Cb -0.10 -1.61 0.08 0.00 -0.43 0.00 0.00 46.19 44.13 2tun s LEU 63 CO -0.13 0.03 0.72 -0.36 -0.29 0.00 0.00 176.35 176.32 2tun s PHE 64 N 1.16 2.96 -0.15 5.38 0.40 -0.19 -1.21 117.98 126.32 2tun s PHE 64 Ca 0.01 -0.74 -0.29 0.00 -0.60 0.00 0.00 56.93 55.31 2tun s PHE 64 Cb -0.14 -3.91 -0.00 0.00 0.51 0.00 0.00 43.02 39.47 2tun s PHE 64 CO -0.04 -1.27 1.04 0.21 0.70 0.00 0.00 175.22 175.86 2tun s LYS 65 N 2.90 4.35 0.20 0.44 2.20 0.58 -2.65 119.74 127.76 2tun s LYS 65 Ca 0.15 1.41 0.00 0.00 -0.36 0.00 0.00 55.97 57.17 2tun s LYS 65 Cb -0.21 -3.59 -0.04 0.00 -1.51 0.00 0.00 37.83 32.48 2tun s LYS 65 CO 0.09 -0.46 0.37 0.20 -0.36 0.00 0.00 175.35 175.19 2tun s GLY 66 N 1.20 1.73 -0.12 5.54 0.00 -0.24 -4.58 107.32 110.85 2tun s GLY 66 Ca 0.47 -0.90 0.14 0.00 0.00 0.00 0.00 44.72 44.44 2tun s GLY 66 CO 0.13 -0.86 1.15 0.61 0.00 0.00 0.00 173.10 174.14 2tun n GLN 67 N -0.70 0.97 0.00 2.90 0.00 -1.26 -4.07 117.38 115.21 2tun n GLN 67 Ca -0.05 -2.49 0.00 0.00 0.00 0.00 0.00 57.00 54.46 2tun n GLN 67 Cb 0.54 -1.12 0.00 0.00 0.00 0.00 0.00 30.24 29.66 2tun n GLN 67 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.06 177.47 2tun n GLY 68 N -0.76 0.32 2.66 2.61 0.00 -1.26 -4.73 105.19 104.03 2tun n GLY 68 Ca 0.13 -1.80 -0.30 0.00 0.00 0.00 0.00 46.02 44.05 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 4.72 1.13 -0.80 0.00 -0.04 -1.26 -4.23 135.00 134.52 2tun n PRO 70 Ca -0.00 0.44 -0.37 0.00 -0.04 0.00 0.00 63.50 63.52 2tun n PRO 70 Cb 0.41 -2.49 -0.06 0.00 -0.04 0.00 0.00 33.50 31.32 2tun n PRO 70 CO 0.00 0.00 0.00 0.45 -0.04 0.00 0.00 175.50 175.91 2tun n SER 71 N -1.68 2.18 0.00 3.54 2.88 -1.26 -4.74 113.62 114.53 2tun n SER 71 Ca 0.15 -2.52 0.00 0.00 -1.33 0.00 0.00 58.87 55.17 2tun n SER 71 Cb 0.48 -0.88 0.00 0.00 -0.75 0.00 0.00 64.21 63.06 2tun n SER 71 CO 0.00 0.00 0.00 1.07 -1.23 0.00 0.00 175.04 174.88 2tun n THR 72 N 5.95 0.00 -3.27 2.46 5.66 -1.26 -5.04 114.28 118.78 2tun n THR 72 Ca 0.44 0.00 -0.45 0.00 -3.05 0.00 0.00 64.05 60.99 2tun n THR 72 Cb 0.34 0.00 -0.00 0.00 -1.55 0.00 0.00 70.33 69.11 2tun n THR 72 CO 0.00 0.00 0.00 -2.28 -3.05 0.00 0.00 175.07 169.74 2tun s HIS 73 N -2.00 4.11 0.37 1.09 2.46 -1.26 -4.85 115.29 115.21 2tun s HIS 73 Ca 0.00 -2.56 0.20 0.00 0.47 0.00 0.00 55.06 53.17 2tun s HIS 73 Cb 0.00 -3.92 1.21 0.00 -0.13 0.00 0.00 32.58 29.74 2tun s HIS 73 CO 0.00 -1.03 1.65 -0.39 -2.47 0.00 0.00 174.74 172.50 2tun h VAL 74 N 3.91 0.23 -2.16 0.89 -1.51 -1.91 -3.49 116.25 112.21 2tun h VAL 74 Ca 0.20 -0.08 0.00 0.00 -1.23 0.00 0.00 66.70 65.59 2tun h VAL 74 Cb 0.88 -0.01 0.00 0.00 -2.13 0.00 0.00 31.29 30.03 2tun h VAL 74 CO 1.04 0.04 -0.51 0.18 -1.23 0.00 0.00 177.57 177.10 2tun n LEU 75 N -4.96 -4.24 -4.20 4.19 7.99 -1.26 -5.01 117.00 109.51 2tun n LEU 75 Ca 0.33 1.72 -0.29 0.00 -0.01 0.00 0.00 56.01 57.76 2tun n LEU 75 Cb 1.13 -1.19 -0.16 0.00 -0.11 0.00 0.00 43.42 43.08 2tun n LEU 75 CO 0.12 -0.31 -0.54 -0.76 -1.51 0.00 0.00 177.39 174.39 2tun s LEU 76 N -1.59 1.99 -0.11 2.23 1.02 -1.24 -4.81 118.68 116.17 2tun s LEU 76 Ca 0.00 -0.45 -0.04 0.00 0.02 0.00 0.00 54.13 53.67 2tun s LEU 76 Cb 0.00 -1.20 0.05 0.00 0.02 0.00 0.00 46.19 45.06 2tun s LEU 76 CO 0.00 0.19 0.08 -0.89 0.02 0.00 0.00 176.35 175.75 2tun s THR 77 N 0.01 -0.09 -0.24 5.49 2.01 -1.26 -1.76 115.64 119.80 2tun s THR 77 Ca -0.06 0.10 -0.02 0.00 0.31 0.00 0.00 61.69 62.02 2tun s THR 77 Cb -0.13 -0.39 0.02 0.00 0.01 0.00 0.00 72.50 72.01 2tun s THR 77 CO 0.04 -0.07 -0.07 -2.28 -0.69 0.00 0.00 174.62 171.54 2tun s HIS 78 N 2.15 3.04 0.22 4.92 2.46 -0.43 -2.56 115.29 125.09 2tun s HIS 78 Ca 0.03 -1.53 0.03 0.00 0.47 0.00 0.00 55.06 54.07 2tun s HIS 78 Cb -0.14 -2.05 -0.05 0.00 -0.13 0.00 0.00 32.58 30.21 2tun s HIS 78 CO -0.06 -0.72 -0.01 0.99 -2.47 0.00 0.00 174.74 172.47 2tun s THR 79 N 1.33 0.99 -0.17 0.89 2.01 -0.88 -0.35 115.64 119.47 2tun s THR 79 Ca 0.01 -2.03 -0.03 0.00 0.31 0.00 0.00 61.69 59.95 2tun s THR 79 Cb -0.16 -2.29 0.06 0.00 0.01 0.00 0.00 72.50 70.11 2tun s THR 79 CO -0.05 -0.36 0.05 -0.63 -0.69 0.00 0.00 174.62 172.94 2tun s ILE 80 N -3.45 0.32 0.24 1.82 1.01 -0.73 -0.63 121.20 119.78 2tun s ILE 80 Ca 0.27 -0.35 0.02 0.00 0.00 0.00 0.00 60.65 60.59 2tun s ILE 80 Cb 0.06 -0.83 -0.03 0.00 0.01 0.00 0.00 42.46 41.66 2tun s ILE 80 CO 0.08 -0.17 0.41 -0.94 0.00 0.00 0.00 174.94 174.31 2tun s SER 81 N 1.96 6.34 -0.06 3.58 1.04 0.34 -3.37 113.70 123.53 2tun s SER 81 Ca 0.01 0.27 0.04 0.00 0.48 0.00 0.00 55.95 56.75 2tun s SER 81 Cb -0.16 -1.95 -0.02 0.00 0.10 0.00 0.00 66.02 63.99 2tun s SER 81 CO -0.08 -0.10 -0.18 -0.60 0.98 0.00 0.00 173.24 173.26 2tun s ARG 82 N -3.78 2.57 -0.28 4.02 3.52 -1.04 0.49 118.95 124.45 2tun s ARG 82 Ca 0.37 -0.77 0.01 0.00 -0.13 0.00 0.00 55.73 55.21 2tun s ARG 82 Cb -0.10 -2.32 0.08 0.00 -1.56 0.00 0.00 34.95 31.05 2tun s ARG 82 CO 0.31 0.51 0.01 0.42 -0.81 0.00 0.00 175.30 175.74 2tun s ILE 83 N -0.46 1.53 0.55 4.11 -1.09 0.18 -3.47 121.20 122.55 2tun s ILE 83 Ca 0.05 -1.53 -0.15 0.00 -2.23 0.00 0.00 60.65 56.80 2tun s ILE 83 Cb -0.12 -1.97 -0.07 0.00 -1.58 0.00 0.00 42.46 38.73 2tun s ILE 83 CO 0.02 -0.37 0.99 -0.69 -1.23 0.00 0.00 174.94 173.66 2tun s VAL 84 N 1.34 4.59 -0.13 2.92 1.01 -1.25 -1.37 120.40 127.52 2tun s VAL 84 Ca 0.02 1.10 -0.21 0.00 0.00 0.00 0.00 61.98 62.90 2tun s VAL 84 Cb -0.18 -3.77 -0.18 0.00 0.00 0.00 0.00 36.38 32.24 2tun s VAL 84 CO -0.11 -0.83 0.56 1.62 0.00 0.00 0.00 175.10 176.33 2tun h VAL 85 N 0.53 1.27 0.07 2.92 3.04 -1.85 -3.38 116.25 118.85 2tun h VAL 85 Ca -0.46 -1.94 -0.00 0.00 -1.01 0.00 0.00 66.70 63.29 2tun h VAL 85 Cb 1.19 2.39 0.00 0.00 -2.01 0.00 0.00 31.29 32.86 2tun h VAL 85 CO 0.62 0.43 -0.03 0.28 -1.01 0.00 0.00 177.57 177.85 2tun h SER 86 N -0.99 -0.07 -3.72 3.17 0.02 -1.96 -3.44 113.55 106.55 2tun h SER 86 Ca -0.00 0.00 -0.49 0.00 -0.84 0.00 0.00 61.79 60.46 2tun h SER 86 Cb 0.70 0.02 -0.02 0.00 0.14 0.00 0.00 62.40 63.24 2tun h SER 86 CO 0.00 0.08 0.35 -0.31 -1.14 0.00 0.00 176.83 175.82 2tun s TYR 87 N -1.73 3.95 0.00 3.45 2.02 -1.26 -5.06 117.35 118.73 2tun s TYR 87 Ca -0.01 1.90 0.00 0.00 -0.37 0.00 0.00 57.07 58.58 2tun s TYR 87 Cb 0.00 -3.00 0.00 0.00 -0.40 0.00 0.00 41.96 38.56 2tun s TYR 87 CO 0.04 0.40 0.00 1.04 -1.57 0.00 0.00 175.55 175.46 2tun n GLN 88 N 1.70 2.32 -0.27 -0.62 6.02 -1.26 -3.85 117.38 121.42 2tun n GLN 88 Ca -0.01 0.00 0.04 0.00 -0.01 0.00 0.00 57.00 57.01 2tun n GLN 88 Cb 0.47 0.00 -0.01 0.00 1.02 0.00 0.00 30.24 31.72 2tun n GLN 88 CO 0.00 0.00 0.00 -2.37 -1.01 0.00 0.00 177.06 173.68 2tun n THR 89 N 0.00 0.00 -1.17 5.09 5.66 -1.26 -4.75 114.28 117.85 2tun n THR 89 Ca 0.00 0.00 -0.12 0.00 -3.05 0.00 0.00 64.05 60.88 2tun n THR 89 Cb 0.00 -0.09 -0.07 0.00 -1.55 0.00 0.00 70.33 68.62 2tun n THR 89 CO 0.00 0.00 0.00 0.29 -3.05 0.00 0.00 175.07 172.31 2tun n LYS 90 N -2.10 0.04 -3.84 1.09 4.76 -1.26 -4.56 118.16 112.28 2tun n LYS 90 Ca 0.00 -0.86 -0.36 0.00 -2.87 0.00 0.00 58.31 54.23 2tun n LYS 90 Cb 0.12 -2.45 -0.13 0.00 -1.84 0.00 0.00 35.03 30.73 2tun n LYS 90 CO 0.00 0.00 0.00 0.54 -1.37 0.00 0.00 177.40 176.57 2tun s VAL 91 N 8.68 3.67 -0.60 -0.18 0.11 -1.23 -5.04 120.40 125.82 2tun s VAL 91 Ca 0.44 -0.53 -0.27 0.00 -2.93 0.00 0.00 61.98 58.68 2tun s VAL 91 Cb 0.00 -2.76 0.00 0.00 -1.53 0.00 0.00 36.38 32.10 2tun s VAL 91 CO 0.13 0.29 1.55 0.21 -3.33 0.00 0.00 175.10 173.95 2tun s ASN 92 N 1.50 5.85 0.03 3.54 3.84 -1.26 -2.50 114.94 125.93 2tun s ASN 92 Ca 0.04 0.21 -0.02 0.00 0.21 0.00 0.00 52.86 53.31 2tun s ASN 92 Cb -0.15 -2.54 -0.27 0.00 -0.55 0.00 0.00 41.25 37.73 2tun s ASN 92 CO -0.01 -1.95 0.95 -0.07 -2.79 0.00 0.00 177.10 173.24 2tun h LEU 93 N 14.17 0.35 -7.00 3.21 3.38 -1.92 -3.48 115.31 124.02 2tun h LEU 93 Ca -0.27 -0.45 0.09 0.00 0.09 0.00 0.00 57.88 57.34 2tun h LEU 93 Cb 1.11 -0.11 -0.25 0.00 0.09 0.00 0.00 40.66 41.50 2tun h LEU 93 CO 1.20 1.37 0.55 -1.48 0.09 0.00 0.00 178.44 180.17 2tun s LEU 94 N -6.96 -0.37 0.26 1.67 2.34 -1.22 -5.08 118.68 109.33 2tun s LEU 94 Ca -0.07 0.55 -0.13 0.00 0.06 0.00 0.00 54.13 54.54 2tun s LEU 94 Cb 0.07 1.79 -0.00 0.00 -0.56 0.00 0.00 46.19 47.49 2tun s LEU 94 CO 0.86 -0.24 0.50 -0.55 -1.06 0.00 0.00 176.35 175.86 2tun s SER 95 N -0.53 -0.04 0.20 1.48 0.15 -1.26 -1.78 113.70 111.92 2tun s SER 95 Ca 0.01 -0.95 -0.23 0.00 0.70 0.00 0.00 55.95 55.48 2tun s SER 95 Cb -0.02 0.61 0.05 0.00 -1.71 0.00 0.00 66.02 64.94 2tun s SER 95 CO -0.03 -1.18 0.67 0.00 1.20 0.00 0.00 173.24 173.91 2tun s ALA 96 N -3.91 -1.47 0.03 5.45 0.00 0.53 -4.97 121.76 117.42 2tun s ALA 96 Ca 0.22 0.20 -0.20 0.00 0.00 0.00 0.00 51.96 52.18 2tun s ALA 96 Cb -0.01 0.84 0.04 0.00 0.00 0.00 0.00 23.12 23.99 2tun s ALA 96 CO 0.10 -0.88 0.46 0.42 0.00 0.00 0.00 175.76 175.86 2tun s ILE 97 N -3.76 0.04 -0.30 0.00 1.09 -1.26 -1.31 121.20 115.70 2tun s ILE 97 Ca 0.05 -0.35 -0.10 0.00 -1.10 0.00 0.00 60.65 59.16 2tun s ILE 97 Cb -0.03 -0.93 0.19 0.00 -1.06 0.00 0.00 42.46 40.62 2tun s ILE 97 CO -0.05 -0.19 1.01 -1.59 -0.10 0.00 0.00 174.94 174.02 2tun s LYS 98 N -2.26 0.18 -0.37 2.79 -2.85 -0.72 -5.00 119.74 111.50 2tun s LYS 98 Ca -0.06 0.17 -0.29 0.00 -1.00 0.00 0.00 55.97 54.79 2tun s LYS 98 Cb -0.01 0.08 0.01 0.00 -2.06 0.00 0.00 37.83 35.84 2tun s LYS 98 CO -0.01 -0.33 1.36 0.45 0.10 0.00 0.00 175.35 176.92 2tun s SER 99 N 2.95 6.47 0.00 0.03 0.15 -1.26 -3.70 113.70 118.34 2tun s SER 99 Ca 0.26 0.95 0.00 0.00 0.70 0.00 0.00 55.95 57.87 2tun s SER 99 Cb -0.02 -2.54 0.00 0.00 -1.71 0.00 0.00 66.02 61.75 2tun s SER 99 CO -0.23 -1.30 0.00 -2.65 1.20 0.00 0.00 173.24 170.26 2tun n PRO 100 N 7.79 0.00 -3.59 5.44 -0.02 -1.26 -4.74 135.00 138.62 2tun n PRO 100 Ca 0.16 0.00 -0.36 0.00 -2.02 0.00 0.00 63.50 61.27 2tun n PRO 100 Cb 0.47 0.00 -0.06 0.00 -0.02 0.00 0.00 33.50 33.90 2tun n PRO 100 CO 0.00 0.00 0.00 0.00 1.98 0.00 0.00 175.50 177.48 2tun s GLN 102 N -1.49 4.06 -0.40 0.00 -1.52 -1.26 -4.85 119.66 114.19 2tun s GLN 102 Ca 0.27 0.70 -0.10 0.00 -1.95 0.00 0.00 55.36 54.29 2tun s GLN 102 Cb -0.15 -3.69 -0.10 0.00 -0.22 0.00 0.00 33.01 28.85 2tun s GLN 102 CO 0.15 -0.58 1.02 0.54 -0.25 0.00 0.00 175.29 176.17 2tun n ARG 103 N 6.05 0.00 -0.00 2.91 1.74 -1.26 -4.86 116.66 121.23 2tun n ARG 103 Ca 0.04 0.00 0.05 0.00 -0.77 0.00 0.00 57.85 57.17 2tun n ARG 103 Cb 0.48 -0.54 -0.08 0.00 -1.02 0.00 0.00 32.46 31.30 2tun n ARG 103 CO 0.00 0.00 0.00 -0.85 -1.52 0.00 0.00 177.63 175.26 2tun n GLU 104 N 3.04 0.52 -3.16 5.56 -0.00 -1.26 -5.07 120.64 120.27 2tun n GLU 104 Ca 0.27 -0.09 -0.25 0.00 -0.00 0.00 0.00 57.16 57.09 2tun n GLU 104 Cb 0.03 -1.22 0.02 0.00 -0.00 0.00 0.00 31.44 30.27 2tun n GLU 104 CO 0.00 0.00 0.00 2.41 0.00 0.00 0.00 177.13 179.54 2tun n THR 105 N -1.81 -2.94 0.00 3.84 -1.04 -1.26 -4.29 114.28 106.78 2tun n THR 105 Ca -0.02 0.18 0.00 0.00 -2.04 0.00 0.00 64.05 62.18 2tun n THR 105 Cb 0.26 -3.01 0.00 0.00 -1.82 0.00 0.00 70.33 65.76 2tun n THR 105 CO 0.00 0.00 0.00 -2.65 -0.64 0.00 0.00 175.07 171.78 2tun n PRO 106 N 0.26 0.00 -0.18 -2.82 -0.02 -1.26 -4.52 135.00 126.47 2tun n PRO 106 Ca -0.06 0.00 0.18 0.00 -2.02 0.00 0.00 63.50 61.60 2tun n PRO 106 Cb 0.57 -0.14 0.54 0.00 -0.02 0.00 0.00 33.50 34.45 2tun n PRO 106 CO 0.00 0.00 0.00 0.93 1.98 0.00 0.00 175.50 178.41 2tun h GLU 107 N 0.12 0.34 0.00 -0.52 5.08 -2.00 -3.26 114.58 114.34 2tun h GLU 107 Ca 0.00 -0.02 0.00 0.00 -1.00 0.00 0.00 59.36 58.34 2tun h GLU 107 Cb 0.00 -0.08 0.00 0.00 0.50 0.00 0.00 28.75 29.17 2tun h GLU 107 CO 0.00 0.22 0.00 0.41 -1.00 0.00 0.00 179.01 178.64 2tun n GLY 108 N -1.54 0.48 3.57 -3.84 0.00 -1.26 -4.85 105.19 97.75 2tun n GLY 108 Ca 0.16 0.00 -0.38 0.00 0.00 0.00 0.00 46.02 45.80 2tun n GLY 108 CO 0.00 0.00 0.00 0.00 0.00 0.00 0.00 173.32 173.32 2tun s ALA 109 N -3.16 2.74 0.37 4.61 0.00 -1.26 -4.92 121.76 120.13 2tun s ALA 109 Ca 0.00 -2.49 -0.27 0.00 0.00 0.00 0.00 51.96 49.19 2tun s ALA 109 Cb 0.00 -4.62 -0.10 0.00 0.00 0.00 0.00 23.12 18.41 2tun s ALA 109 CO 0.00 -3.88 1.30 -1.83 0.00 0.00 0.00 175.76 171.35 2tun s GLU 110 N 5.08 4.17 -0.21 0.00 1.03 -1.23 -4.49 118.70 123.06 2tun s GLU 110 Ca 0.56 2.17 -0.04 0.00 0.03 0.00 0.00 54.97 57.70 2tun s GLU 110 Cb 0.01 -2.91 0.01 0.00 -0.80 0.00 0.00 34.13 30.43 2tun s GLU 110 CO 0.04 -0.33 0.13 0.00 -1.33 0.00 0.00 175.26 173.77 2tun n ALA 111 N 0.47 -1.35 -2.78 -0.84 0.00 -1.26 -4.90 120.51 109.84 2tun n ALA 111 Ca 0.02 -0.09 -0.43 0.00 0.00 0.00 0.00 53.44 52.94 2tun n ALA 111 Cb 0.43 -0.33 -0.03 0.00 0.00 0.00 0.00 19.45 19.52 2tun n ALA 111 CO 0.00 0.00 0.00 -1.59 0.00 0.00 0.00 177.50 175.91 2tun s LYS 112 N -4.05 3.36 0.00 0.00 0.00 -1.26 -4.49 119.74 113.30 2tun s LYS 112 Ca 0.05 -1.08 0.00 0.00 0.00 0.00 0.00 55.97 54.94 2tun s LYS 112 Cb -0.03 -4.64 0.00 0.00 0.00 0.00 0.00 37.83 33.16 2tun s LYS 112 CO 0.19 -1.93 0.00 -2.30 0.00 0.00 0.00 175.35 171.32 2tun n PRO 113 N 7.82 0.00 -3.75 1.78 -0.02 -1.26 -4.97 135.00 134.60 2tun n PRO 113 Ca 0.13 0.00 -0.13 0.00 -2.02 0.00 0.00 63.50 61.47 2tun n PRO 113 Cb 0.48 0.00 -0.10 0.00 -0.02 0.00 0.00 33.50 33.87 2tun n PRO 113 CO 0.00 0.00 0.00 1.67 1.98 0.00 0.00 175.50 179.15 2tun s TRP 114 N 0.00 -0.29 -0.06 6.00 1.48 -1.26 -4.93 118.94 119.88 2tun s TRP 114 Ca 0.00 0.62 -0.03 0.00 -1.06 0.00 0.00 56.10 55.64 2tun s TRP 114 Cb 0.00 0.12 0.04 0.00 -1.16 0.00 0.00 33.47 32.47 2tun s TRP 114 CO 0.00 -0.29 0.06 0.71 -4.06 0.00 0.00 176.95 173.37 2tun s TYR 115 N -0.58 0.10 -0.29 1.66 2.02 -1.26 -1.08 117.35 117.93 2tun s TYR 115 Ca -0.07 0.14 0.01 0.00 -0.37 0.00 0.00 57.07 56.78 2tun s TYR 115 Cb -0.04 -0.53 0.09 0.00 -0.40 0.00 0.00 41.96 41.08 2tun s TYR 115 CO 0.03 -0.25 0.04 -1.21 -1.57 0.00 0.00 175.55 172.59 2tun s GLU 116 N 2.16 1.12 -0.00 -0.62 8.01 -1.08 -5.00 118.70 123.28 2tun s GLU 116 Ca 0.04 -1.20 -0.09 0.00 0.01 0.00 0.00 54.97 53.73 2tun s GLU 116 Cb -0.13 -2.44 -0.05 0.00 -4.31 0.00 0.00 34.13 27.20 2tun s GLU 116 CO -0.04 -0.86 0.30 -1.25 0.01 0.00 0.00 175.26 173.42 2tun s PRO 117 N 1.41 3.66 0.06 0.39 0.04 -1.26 -1.02 135.00 138.27 2tun s PRO 117 Ca 0.05 0.06 0.06 0.00 0.04 0.00 0.00 61.00 61.22 2tun s PRO 117 Cb -0.18 -3.11 -0.03 0.00 0.04 0.00 0.00 34.50 31.22 2tun s PRO 117 CO -0.15 0.66 -0.17 0.42 0.04 0.00 0.00 177.00 177.80 2tun s ILE 118 N -1.23 1.37 0.11 0.56 1.01 -0.19 -4.99 121.20 117.84 2tun s ILE 118 Ca 0.26 -1.22 0.06 0.00 0.00 0.00 0.00 60.65 59.75 2tun s ILE 118 Cb -0.14 -1.24 -0.04 0.00 0.01 0.00 0.00 42.46 41.06 2tun s ILE 118 CO 0.14 -0.01 -0.16 -0.47 0.00 0.00 0.00 174.94 174.44 2tun s TYR 119 N -0.99 1.48 -0.03 3.97 5.04 -1.26 -3.17 117.35 122.39 2tun s TYR 119 Ca 0.03 -0.49 -0.01 0.00 -2.44 0.00 0.00 57.07 54.17 2tun s TYR 119 Cb -0.09 -0.79 0.03 0.00 0.35 0.00 0.00 41.96 41.46 2tun s TYR 119 CO 0.02 0.15 0.05 -0.51 -1.34 0.00 0.00 175.55 173.92 2tun s LEU 120 N -2.16 1.08 -0.11 6.97 1.43 -1.19 -4.98 118.68 119.72 2tun s LEU 120 Ca 0.06 0.08 -0.29 0.00 -1.03 0.00 0.00 54.13 52.96 2tun s LEU 120 Cb -0.08 0.01 0.07 0.00 0.03 0.00 0.00 46.19 46.22 2tun s LEU 120 CO 0.03 -0.12 0.67 -0.83 0.23 0.00 0.00 176.35 176.33 2tun s GLY 121 N 1.01 -0.55 0.00 -3.19 0.00 -1.26 -2.66 107.32 100.67 2tun s GLY 121 Ca -0.08 1.46 0.00 0.00 0.00 0.00 0.00 44.72 46.09 2tun s GLY 121 CO -0.03 1.13 0.00 0.61 0.00 0.00 0.00 173.10 174.80 2tun n GLY 122 N 1.40 3.38 3.69 0.20 0.00 -1.11 -4.99 105.19 107.75 2tun n GLY 122 Ca -0.18 -0.11 -0.42 0.00 0.00 0.00 0.00 46.02 45.32 2tun n GLY 122 CO 0.00 0.00 0.00 0.14 0.00 0.00 0.00 173.32 173.46 2tun s VAL 123 N -0.71 4.87 0.28 1.61 1.01 -1.26 -1.74 120.40 124.47 2tun s VAL 123 Ca 0.00 1.84 0.03 0.00 0.00 0.00 0.00 61.98 63.86 2tun s VAL 123 Cb 0.00 -4.23 -0.06 0.00 0.00 0.00 0.00 36.38 32.10 2tun s VAL 123 CO 0.00 0.08 0.05 -0.36 0.00 0.00 0.00 175.10 174.87 2tun s PHE 124 N 1.65 1.77 -0.49 5.22 0.08 0.21 -4.87 117.98 121.55 2tun s PHE 124 Ca 0.45 -0.99 -0.20 0.00 0.12 0.00 0.00 56.93 56.30 2tun s PHE 124 Cb -0.18 -1.09 0.04 0.00 -0.57 0.00 0.00 43.02 41.22 2tun s PHE 124 CO 0.19 -0.08 0.66 -1.14 -0.10 0.00 0.00 175.22 174.74 2tun s GLN 125 N -3.91 3.19 0.51 0.44 2.00 -1.23 -0.81 119.66 119.84 2tun s GLN 125 Ca 0.35 -0.66 0.02 0.00 -2.00 0.00 0.00 55.36 53.06 2tun s GLN 125 Cb 0.08 -4.04 -0.01 0.00 0.80 0.00 0.00 33.01 29.83 2tun s GLN 125 CO 0.13 -1.17 0.03 -0.51 -0.50 0.00 0.00 175.29 173.28 2tun s LEU 126 N 2.81 2.35 0.00 3.68 1.43 0.75 -4.98 118.68 124.72 2tun s LEU 126 Ca 0.19 -1.61 0.04 0.00 -1.03 0.00 0.00 54.13 51.72 2tun s LEU 126 Cb -0.17 -0.78 -0.02 0.00 0.03 0.00 0.00 46.19 45.26 2tun s LEU 126 CO 0.15 -0.85 0.15 -0.62 0.23 0.00 0.00 176.35 175.40 2tun n GLU 127 N -1.29 0.57 -2.10 1.70 4.71 -1.26 -2.20 120.64 120.78 2tun n GLU 127 Ca -0.17 -2.91 -0.42 0.00 -0.01 0.00 0.00 57.16 53.65 2tun n GLU 127 Cb 0.67 1.74 -0.03 0.00 -1.01 0.00 0.00 31.44 32.81 2tun n GLU 127 CO 0.00 0.00 0.00 0.21 0.09 0.00 0.00 177.13 177.43 2tun s LYS 128 N -3.29 4.27 -0.13 3.49 2.47 -0.26 -2.28 119.74 124.01 2tun s LYS 128 Ca 0.21 2.15 0.00 0.00 -1.56 0.00 0.00 55.97 56.77 2tun s LYS 128 Cb 0.01 -3.36 0.00 0.00 -1.46 0.00 0.00 37.83 33.02 2tun s LYS 128 CO 0.15 -0.55 0.00 0.41 0.16 0.00 0.00 175.35 175.52 2tun n GLY 129 N 3.66 0.35 3.59 5.54 0.00 0.40 -4.61 105.19 114.13 2tun n GLY 129 Ca 0.13 -0.06 -0.42 0.00 0.00 0.00 0.00 46.02 45.67 2tun n GLY 129 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 2tun s ASP 130 N -2.10 6.00 -0.34 1.61 -1.08 -0.87 -4.52 116.67 115.37 2tun s ASP 130 Ca 0.00 0.97 -0.17 0.00 -0.52 0.00 0.00 52.55 52.82 2tun s ASP 130 Cb 0.00 -2.53 -0.01 0.00 -1.46 0.00 0.00 42.92 38.92 2tun s ASP 130 CO 0.00 -1.68 0.48 0.00 0.52 0.00 0.00 175.17 174.48 2tun s ARG 131 N 5.54 3.66 -0.12 4.34 1.70 -0.47 0.62 118.95 134.22 2tun s ARG 131 Ca 0.70 -0.17 -0.05 0.00 -0.47 0.00 0.00 55.73 55.75 2tun s ARG 131 Cb -0.18 -3.79 -0.04 0.00 -0.57 0.00 0.00 34.95 30.38 2tun s ARG 131 CO 0.31 -0.58 0.05 -0.51 -1.08 0.00 0.00 175.30 173.50 2tun s LEU 132 N 2.29 3.86 0.00 -1.89 2.01 0.72 0.51 118.68 126.18 2tun s LEU 132 Ca 0.17 0.21 0.01 0.00 0.01 0.00 0.00 54.13 54.53 2tun s LEU 132 Cb -0.16 -1.92 -0.00 0.00 0.01 0.00 0.00 46.19 44.11 2tun s LEU 132 CO 0.12 0.33 -0.03 -0.94 1.01 0.00 0.00 176.35 176.84 2tun s SER 133 N -0.58 0.39 -0.48 2.29 1.04 0.18 -1.02 113.70 115.51 2tun s SER 133 Ca 0.11 -0.12 -0.18 0.00 0.48 0.00 0.00 55.95 56.24 2tun s SER 133 Cb -0.12 -0.03 0.05 0.00 0.10 0.00 0.00 66.02 66.03 2tun s SER 133 CO 0.02 0.00 0.54 0.00 0.98 0.00 0.00 173.24 174.79 2tun s ALA 134 N -0.25 3.43 0.05 5.32 0.00 -1.26 0.13 121.76 129.18 2tun s ALA 134 Ca -0.01 -1.76 0.00 0.00 0.00 0.00 0.00 51.96 50.20 2tun s ALA 134 Cb -0.02 -3.24 -0.04 0.00 0.00 0.00 0.00 23.12 19.82 2tun s ALA 134 CO -0.00 -1.87 0.16 -1.21 0.00 0.00 0.00 175.76 172.84 2tun s GLU 135 N 2.34 3.26 0.07 0.00 2.02 0.20 -4.97 118.70 121.62 2tun s GLU 135 Ca 0.13 -0.50 0.06 0.00 0.02 0.00 0.00 54.97 54.68 2tun s GLU 135 Cb -0.20 -2.95 -0.03 0.00 0.10 0.00 0.00 34.13 31.06 2tun s GLU 135 CO 0.11 0.61 -0.16 0.42 0.02 0.00 0.00 175.26 176.27 2tun s ILE 136 N -1.43 1.23 -0.16 -1.63 1.01 -1.26 -2.07 121.20 116.90 2tun s ILE 136 Ca 0.31 -1.33 -0.19 0.00 0.00 0.00 0.00 60.65 59.45 2tun s ILE 136 Cb -0.13 -1.16 -0.16 0.00 0.01 0.00 0.00 42.46 41.02 2tun s ILE 136 CO 0.24 -0.17 0.32 -0.55 0.00 0.00 0.00 174.94 174.78 2tun h ASN 137 N 4.30 0.00 -4.14 3.58 -1.07 -1.90 -3.43 115.58 112.91 2tun h ASN 137 Ca -0.42 -0.53 -0.67 0.00 0.07 0.00 0.00 56.30 54.76 2tun h ASN 137 Cb 1.19 0.00 -0.38 0.00 -2.07 0.00 0.00 38.32 37.06 2tun h ASN 137 CO 0.40 1.05 -0.52 -0.13 0.07 0.00 0.00 177.43 178.30 2tun s ARG 138 N -2.16 2.17 0.52 4.14 0.52 -1.26 -4.95 118.95 117.93 2tun s ARG 138 Ca -0.19 -2.45 0.26 0.00 -0.52 0.00 0.00 55.73 52.83 2tun s ARG 138 Cb 0.01 -3.50 1.42 0.00 0.52 0.00 0.00 34.95 33.41 2tun s ARG 138 CO 0.48 -1.12 2.07 -1.00 0.02 0.00 0.00 175.30 175.75 2tun h PRO 139 N 6.94 0.00 -1.56 3.54 0.13 -1.86 -3.31 132.00 135.88 2tun h PRO 139 Ca -0.05 0.00 0.00 0.00 -0.87 0.00 0.00 66.00 65.08 2tun h PRO 139 Cb 0.94 0.00 0.00 0.00 0.13 0.00 0.00 31.00 32.07 2tun h PRO 139 CO 0.68 0.12 0.00 -0.40 -0.23 0.00 0.00 178.00 178.17 2tun n ASP 140 N -3.70 2.08 0.00 1.44 5.75 -1.26 -3.61 116.55 117.24 2tun n ASP 140 Ca -0.02 -1.32 0.00 0.00 -0.01 0.00 0.00 54.79 53.44 2tun n ASP 140 Cb 0.23 -0.38 0.00 0.00 -1.03 0.00 0.00 41.12 39.94 2tun n ASP 140 CO 0.00 0.00 0.00 -1.22 -0.11 0.00 0.00 177.20 175.87 2tun n TYR 141 N 0.95 0.00 -1.99 2.11 4.02 -1.25 -5.05 117.16 115.95 2tun n TYR 141 Ca 0.00 0.00 -0.42 0.00 -0.01 0.00 0.00 57.90 57.47 2tun n TYR 141 Cb 0.29 0.01 -0.03 0.00 -0.02 0.00 0.00 39.34 39.59 2tun n TYR 141 CO 0.00 0.00 0.00 -0.51 -1.01 0.00 0.00 176.86 175.34 2tun s LEU 142 N 0.00 4.35 0.08 7.72 1.43 -1.24 0.22 118.68 131.24 2tun s LEU 142 Ca 0.00 2.40 -0.31 0.00 -1.03 0.00 0.00 54.13 55.19 2tun s LEU 142 Cb 0.00 -3.56 -0.07 0.00 0.03 0.00 0.00 46.19 42.58 2tun s LEU 142 CO 0.00 -0.85 1.44 -0.22 0.23 0.00 0.00 176.35 176.94 2tun s LEU 143 N 2.67 4.36 -0.08 1.79 0.20 -0.35 -4.77 118.68 122.50 2tun s LEU 143 Ca 0.72 2.31 0.14 0.00 0.69 0.00 0.00 54.13 57.99 2tun s LEU 143 Cb -0.38 -3.58 0.46 0.00 -0.43 0.00 0.00 46.19 42.27 2tun s LEU 143 CO 0.31 -0.71 1.39 0.49 -0.29 0.00 0.00 176.35 177.54 2tun n PHE 144 N 4.52 0.82 -2.63 5.38 3.72 -1.26 -4.55 117.46 123.47 2tun n PHE 144 Ca 0.13 -0.64 -0.40 0.00 -0.05 0.00 0.00 57.45 56.49 2tun n PHE 144 Cb 0.42 -0.16 0.02 0.00 -0.94 0.00 0.00 39.48 38.82 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 0.34 5.98 -3.60 4.37 0.00 -1.26 -4.90 120.51 121.44 2tun n ALA 145 Ca 0.18 -4.59 -0.06 0.00 0.00 0.00 0.00 53.44 48.97 2tun n ALA 145 Cb 0.67 -2.05 -0.02 0.00 0.00 0.00 0.00 19.45 18.05 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 -0.10 0.71 0.00 0.00 -0.00 -1.26 -4.97 120.64 115.01 2tun n GLU 146 Ca 0.46 -0.72 0.00 0.00 -0.00 0.00 0.00 57.16 56.90 2tun n GLU 146 Cb 0.27 0.43 0.00 0.00 -0.00 0.00 0.00 31.44 32.14 2tun n GLU 146 CO 0.00 0.00 0.00 -1.13 0.00 0.00 0.00 177.13 176.00 2tun n SER 147 N -2.10 0.00 0.00 -1.84 3.41 -1.26 -4.92 113.62 106.91 2tun n SER 147 Ca -0.01 0.00 0.12 0.00 -0.26 0.00 0.00 58.87 58.73 2tun n SER 147 Cb 0.13 0.00 0.69 0.00 -0.26 0.00 0.00 64.21 64.77 2tun n SER 147 CO 0.00 0.00 0.00 0.61 -0.16 0.00 0.00 175.04 175.49 2tun n GLY 148 N -0.92 -0.94 0.18 5.00 0.00 -1.26 -3.71 105.19 103.54 2tun n GLY 148 Ca 0.00 -0.14 0.02 0.00 0.00 0.00 0.00 46.02 45.90 2tun n GLY 148 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 2tun h GLN 149 N 0.00 0.00 -2.46 1.61 7.50 -1.92 -3.41 115.11 116.43 2tun h GLN 149 Ca 0.00 0.00 -0.28 0.00 0.50 0.00 0.00 58.65 58.87 2tun h GLN 149 Cb 0.11 0.00 -0.34 0.00 0.05 0.00 0.00 27.48 27.30 2tun h GLN 149 CO 0.00 0.41 -0.59 0.14 -1.50 0.00 0.00 178.83 177.29 2tun s VAL 150 N -4.06 -0.38 0.16 -0.54 -7.23 -1.24 -2.37 120.40 104.72 2tun s VAL 150 Ca -0.02 -0.06 -0.07 0.00 -1.81 0.00 0.00 61.98 60.02 2tun s VAL 150 Cb 0.14 -0.67 -0.02 0.00 0.56 0.00 0.00 36.38 36.39 2tun s VAL 150 CO 0.73 -0.15 0.23 -0.72 -0.31 0.00 0.00 175.10 174.87 2tun s TYR 151 N 2.38 0.51 -0.23 2.82 -0.85 -0.92 -1.08 117.35 119.99 2tun s TYR 151 Ca 0.07 -0.88 -0.09 0.00 -0.52 0.00 0.00 57.07 55.65 2tun s TYR 151 Cb -0.15 -0.16 0.09 0.00 0.38 0.00 0.00 41.96 42.12 2tun s TYR 151 CO -0.12 -0.67 0.51 0.12 -1.52 0.00 0.00 175.55 173.86 2tun s PHE 152 N -3.99 -0.92 0.07 -3.49 5.36 0.58 0.43 117.98 116.02 2tun s PHE 152 Ca 0.19 1.75 -0.07 0.00 -0.96 0.00 0.00 56.93 57.84 2tun s PHE 152 Cb 0.04 0.46 -0.01 0.00 -0.34 0.00 0.00 43.02 43.17 2tun s PHE 152 CO 0.00 -0.51 0.13 0.20 -1.46 0.00 0.00 175.22 173.59 2tun s GLY 153 N 2.32 0.18 -0.00 13.12 0.00 0.33 0.25 107.32 123.52 2tun s GLY 153 Ca -0.05 -0.72 0.01 0.00 0.00 0.00 0.00 44.72 43.96 2tun s GLY 153 CO -0.15 -0.88 -0.03 -0.26 0.00 0.00 0.00 173.10 171.78 2tun s ILE 154 N -3.63 0.24 -0.01 0.90 -4.36 -0.56 -1.29 121.20 112.49 2tun s ILE 154 Ca 0.03 -0.15 0.00 0.00 -0.26 0.00 0.00 60.65 60.28 2tun s ILE 154 Cb 0.04 -0.21 0.01 0.00 1.25 0.00 0.00 42.46 43.55 2tun s ILE 154 CO -0.09 0.05 -0.01 -0.51 0.24 0.00 0.00 174.94 174.62 2tun s ILE 155 N -0.10 0.11 0.10 8.37 1.10 -0.23 0.46 121.20 131.01 2tun s ILE 155 Ca 0.01 -0.02 -0.30 0.00 -0.51 0.00 0.00 60.65 59.83 2tun s ILE 155 Cb -0.01 -0.13 -0.06 0.00 0.15 0.00 0.00 42.46 42.40 2tun s ILE 155 CO -0.00 0.06 1.16 0.00 -2.11 0.00 0.00 174.94 174.05 2tun s ALA 156 N 0.22 3.38 0.00 1.50 0.00 -1.13 -0.52 121.76 125.21 2tun s ALA 156 Ca -0.02 0.84 0.00 0.00 0.00 0.00 0.00 51.96 52.78 2tun s ALA 156 Cb -0.04 -3.41 0.00 0.00 0.00 0.00 0.00 23.12 19.67 2tun s ALA 156 CO -0.01 -0.36 0.00 1.28 0.00 0.00 0.00 175.76 176.68