#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1ri8 s GLN 3 N 0.00 0.84 -0.05 5.55 0.00 0.92 -4.97 119.66 121.95 1ri8 s GLN 3 Ca 0.00 -0.91 0.05 0.00 -0.00 0.00 0.00 55.36 54.50 1ri8 s GLN 3 Cb 0.00 -0.85 -0.00 0.00 0.00 0.00 0.00 33.01 32.15 1ri8 s GLN 3 CO 0.00 0.19 -0.19 -0.51 0.00 0.00 0.00 175.29 174.79 1ri8 s LEU 4 N -1.59 1.94 -0.17 2.60 1.43 -1.26 -1.45 118.68 120.18 1ri8 s LEU 4 Ca -0.01 -0.39 0.01 0.00 -1.03 0.00 0.00 54.13 52.71 1ri8 s LEU 4 Cb -0.09 -1.06 0.02 0.00 0.03 0.00 0.00 46.19 45.09 1ri8 s LEU 4 CO 0.02 0.16 -0.16 -0.69 0.23 0.00 0.00 176.35 175.91 1ri8 s VAL 5 N 0.05 1.78 0.12 -1.59 1.01 0.04 -4.86 120.40 116.94 1ri8 s VAL 5 Ca -0.05 -0.79 0.07 0.00 0.00 0.00 0.00 61.98 61.21 1ri8 s VAL 5 Cb -0.12 -1.65 -0.04 0.00 0.00 0.00 0.00 36.38 34.56 1ri8 s VAL 5 CO 0.03 0.47 -0.05 -1.61 0.00 0.00 0.00 175.10 173.93 1ri8 s GLU 6 N 1.40 2.28 0.15 2.72 2.02 -1.26 -0.52 118.70 125.50 1ri8 s GLU 6 Ca 0.04 -1.01 -0.14 0.00 0.02 0.00 0.00 54.97 53.88 1ri8 s GLU 6 Cb -0.13 -2.36 0.02 0.00 0.10 0.00 0.00 34.13 31.75 1ri8 s GLU 6 CO -0.11 0.50 0.39 -1.54 0.02 0.00 0.00 175.26 174.51 1ri8 s SER 7 N -2.44 -0.13 0.00 -0.19 1.04 -0.81 -4.99 113.70 106.18 1ri8 s SER 7 Ca 0.24 -0.55 0.00 0.00 0.48 0.00 0.00 55.95 56.12 1ri8 s SER 7 Cb -0.11 0.48 0.00 0.00 0.10 0.00 0.00 66.02 66.50 1ri8 s SER 7 CO 0.16 -0.91 0.00 0.61 0.98 0.00 0.00 173.24 174.08 1ri8 n GLY 8 N -0.24 0.42 0.00 7.32 0.00 -1.26 -1.34 105.19 110.09 1ri8 n GLY 8 Ca -0.12 -2.07 0.00 0.00 0.00 0.00 0.00 46.02 43.83 1ri8 n GLY 8 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ri8 n GLY 9 N 0.18 -1.89 0.00 -0.02 0.00 -1.26 -4.81 105.19 97.39 1ri8 n GLY 9 Ca 0.00 -2.18 0.00 0.00 0.00 0.00 0.00 46.02 43.84 1ri8 n GLY 9 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ri8 n GLY 10 N -0.21 0.61 3.81 -0.02 0.00 0.38 -5.00 105.19 104.76 1ri8 n GLY 10 Ca 0.00 -2.20 -0.32 0.00 0.00 0.00 0.00 46.02 43.50 1ri8 n GLY 10 CO 0.00 0.00 0.00 -0.56 0.00 0.00 0.00 173.32 172.76 1ri8 s SER 11 N -4.00 5.77 0.02 1.61 0.01 -1.26 -0.66 113.70 115.19 1ri8 s SER 11 Ca 0.00 0.11 -0.28 0.00 1.31 0.00 0.00 55.95 57.09 1ri8 s SER 11 Cb 0.00 -1.64 0.08 0.00 0.21 0.00 0.00 66.02 64.67 1ri8 s SER 11 CO 0.00 0.21 0.70 0.54 0.41 0.00 0.00 173.24 175.10 1ri8 s VAL 12 N -1.34 0.00 0.39 3.43 0.11 -0.46 -4.95 120.40 117.57 1ri8 s VAL 12 Ca 0.28 0.00 -0.16 0.00 -2.93 0.00 0.00 61.98 59.17 1ri8 s VAL 12 Cb -0.12 -1.00 -0.09 0.00 -1.53 0.00 0.00 36.38 33.64 1ri8 s VAL 12 CO 0.20 0.00 0.83 -1.10 -3.33 0.00 0.00 175.10 171.70 1ri8 s GLN 13 N -2.32 4.00 0.36 1.54 -0.21 -1.26 -1.49 119.66 120.28 1ri8 s GLN 13 Ca -0.04 0.77 -0.27 0.00 0.02 0.00 0.00 55.36 55.84 1ri8 s GLN 13 Cb -0.01 -2.32 -0.12 0.00 1.00 0.00 0.00 33.01 31.56 1ri8 s GLN 13 CO -0.01 0.02 1.10 0.00 -2.12 0.00 0.00 175.29 174.28 1ri8 n ALA 14 N -0.78 0.43 0.00 6.09 0.00 0.64 -1.62 120.51 125.26 1ri8 n ALA 14 Ca 0.05 0.32 0.00 0.00 0.00 0.00 0.00 53.44 53.80 1ri8 n ALA 14 Cb 0.54 -2.12 0.00 0.00 0.00 0.00 0.00 19.45 17.87 1ri8 n ALA 14 CO 0.00 0.00 0.00 0.41 0.00 0.00 0.00 177.50 177.91 1ri8 n GLY 15 N 1.06 1.88 0.00 0.00 0.00 0.16 -4.93 105.19 103.36 1ri8 n GLY 15 Ca 0.08 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.10 1ri8 n GLY 15 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1ri8 n GLY 16 N -2.00 0.16 3.18 -0.02 0.00 -0.64 -3.96 105.19 101.90 1ri8 n GLY 16 Ca 0.00 -1.84 -0.11 0.00 0.00 0.00 0.00 46.02 44.08 1ri8 n GLY 16 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1ri8 s SER 17 N -1.00 0.84 0.01 1.61 1.04 -1.26 -0.95 113.70 113.99 1ri8 s SER 17 Ca 0.00 -1.12 -0.16 0.00 0.48 0.00 0.00 55.95 55.15 1ri8 s SER 17 Cb 0.00 0.17 0.03 0.00 0.10 0.00 0.00 66.02 66.32 1ri8 s SER 17 CO 0.00 -0.60 0.34 -0.76 0.98 0.00 0.00 173.24 173.21 1ri8 s LEU 18 N -3.07 0.71 -0.06 2.42 1.43 -0.59 -5.02 118.68 114.50 1ri8 s LEU 18 Ca 0.19 0.03 0.03 0.00 -1.03 0.00 0.00 54.13 53.35 1ri8 s LEU 18 Cb 0.07 1.43 0.00 0.00 0.03 0.00 0.00 46.19 47.72 1ri8 s LEU 18 CO -0.01 -0.53 -0.16 -0.60 0.23 0.00 0.00 176.35 175.28 1ri8 s ARG 19 N -1.81 1.97 0.16 1.70 3.52 -1.26 -0.76 118.95 122.47 1ri8 s ARG 19 Ca -0.10 -0.57 0.08 0.00 -0.13 0.00 0.00 55.73 55.00 1ri8 s ARG 19 Cb -0.03 -1.62 -0.04 0.00 -1.56 0.00 0.00 34.95 31.70 1ri8 s ARG 19 CO 0.02 0.14 -0.05 -0.51 -0.81 0.00 0.00 175.30 174.09 1ri8 s LEU 20 N 0.35 3.15 0.09 -0.88 1.43 -0.27 -4.09 118.68 118.46 1ri8 s LEU 20 Ca -0.11 -0.44 0.03 0.00 -1.03 0.00 0.00 54.13 52.57 1ri8 s LEU 20 Cb -0.14 -1.85 -0.04 0.00 0.03 0.00 0.00 46.19 44.19 1ri8 s LEU 20 CO 0.04 0.12 -0.08 -0.94 0.23 0.00 0.00 176.35 175.71 1ri8 s SER 21 N -2.72 1.23 -0.14 2.29 1.04 -0.45 -0.91 113.70 114.04 1ri8 s SER 21 Ca 0.25 -0.84 -0.05 0.00 0.48 0.00 0.00 55.95 55.80 1ri8 s SER 21 Cb -0.10 0.05 0.07 0.00 0.10 0.00 0.00 66.02 66.14 1ri8 s SER 21 CO 0.16 -0.33 0.27 0.00 0.98 0.00 0.00 173.24 174.32 1ri8 s ALA 23 N 2.42 2.84 0.07 0.00 0.00 0.32 -0.72 121.76 126.70 1ri8 s ALA 23 Ca 0.02 -0.85 0.05 0.00 0.00 0.00 0.00 51.96 51.18 1ri8 s ALA 23 Cb -0.12 -1.41 -0.04 0.00 0.00 0.00 0.00 23.12 21.55 1ri8 s ALA 23 CO -0.09 0.23 -0.04 0.08 0.00 0.00 0.00 175.76 175.94 1ri8 s VAL 24 N 0.35 3.77 -0.00 0.00 1.01 0.37 -0.78 120.40 125.12 1ri8 s VAL 24 Ca -0.07 -0.98 -0.08 0.00 0.00 0.00 0.00 61.98 60.85 1ri8 s VAL 24 Cb -0.15 -2.74 0.00 0.00 0.00 0.00 0.00 36.38 33.49 1ri8 s VAL 24 CO 0.04 0.20 0.15 -0.94 0.00 0.00 0.00 175.10 174.55 1ri8 s SER 25 N -2.01 0.00 0.00 3.32 1.04 -0.53 -4.78 113.70 110.74 1ri8 s SER 25 Ca 0.22 -0.17 0.00 0.00 0.48 0.00 0.00 55.95 56.48 1ri8 s SER 25 Cb -0.11 0.22 0.00 0.00 0.10 0.00 0.00 66.02 66.22 1ri8 s SER 25 CO 0.14 -0.36 0.00 0.61 0.98 0.00 0.00 173.24 174.61 1ri8 n GLY 26 N 1.50 2.13 3.82 7.32 0.00 -1.26 -0.06 105.19 118.64 1ri8 n GLY 26 Ca -0.22 0.00 -0.33 0.00 0.00 0.00 0.00 46.02 45.46 1ri8 n GLY 26 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1ri8 s TYR 27 N -2.17 3.37 -0.87 1.61 1.51 -1.26 -4.51 117.35 115.04 1ri8 s TYR 27 Ca 0.00 1.57 0.26 0.00 -1.01 0.00 0.00 57.07 57.89 1ri8 s TYR 27 Cb 0.00 -2.81 0.60 0.00 -0.11 0.00 0.00 41.96 39.64 1ri8 s TYR 27 CO 0.00 -0.03 1.50 0.36 -1.11 0.00 0.00 175.55 176.26 1ri8 n LYS 28 N -0.43 0.11 -1.76 -0.62 0.00 -1.26 -4.94 118.16 109.26 1ri8 n LYS 28 Ca 0.06 0.04 -0.02 0.00 -0.00 0.00 0.00 58.31 58.38 1ri8 n LYS 28 Cb 0.53 -1.58 0.00 0.00 -0.00 0.00 0.00 35.03 33.99 1ri8 n LYS 28 CO 0.00 0.00 0.00 -0.40 0.00 0.00 0.00 177.40 177.00 1ri8 n ASP 29 N -1.74 -0.37 -1.35 -5.58 5.68 -1.26 -5.05 116.55 106.89 1ri8 n ASP 29 Ca 0.05 -1.34 0.09 0.00 -0.50 0.00 0.00 54.79 53.09 1ri8 n ASP 29 Cb 0.37 0.63 0.31 0.00 -1.14 0.00 0.00 41.12 41.30 1ri8 n ASP 29 CO 0.00 0.00 0.00 0.54 -1.33 0.00 0.00 177.20 176.41 1ri8 n ARG 30 N -0.11 3.46 -1.85 0.11 1.74 -1.26 -4.78 116.66 113.98 1ri8 n ARG 30 Ca -0.01 -2.75 -0.41 0.00 -0.77 0.00 0.00 57.85 53.91 1ri8 n ARG 30 Cb 0.12 -1.78 -0.00 0.00 -1.02 0.00 0.00 32.46 29.77 1ri8 n ARG 30 CO 0.00 0.00 0.00 -1.71 -1.52 0.00 0.00 177.63 174.40 1ri8 n ASN 31 N 0.87 5.43 -3.97 0.55 5.15 -1.26 -4.60 115.26 117.42 1ri8 n ASN 31 Ca 0.23 -2.90 -0.09 0.00 -0.60 0.00 0.00 54.58 51.22 1ri8 n ASN 31 Cb 0.81 -1.57 -0.05 0.00 -0.53 0.00 0.00 39.78 38.44 1ri8 n ASN 31 CO 0.00 0.00 0.00 -0.72 1.40 0.00 0.00 177.26 177.94 1ri8 s TYR 32 N 1.85 0.33 0.10 1.20 -0.85 -1.26 -4.45 117.35 114.26 1ri8 s TYR 32 Ca 0.50 -0.69 0.02 0.00 -0.52 0.00 0.00 57.07 56.38 1ri8 s TYR 32 Cb 0.14 0.18 -0.04 0.00 0.38 0.00 0.00 41.96 42.62 1ri8 s TYR 32 CO -0.06 -0.96 0.15 0.00 -1.52 0.00 0.00 175.55 173.16 1ri8 s MET 34 N -2.66 0.57 0.19 0.00 -1.94 -1.08 -1.12 119.30 113.26 1ri8 s MET 34 Ca 0.32 -0.41 -0.23 0.00 -1.71 0.00 0.00 55.69 53.66 1ri8 s MET 34 Cb -0.12 -0.50 0.06 0.00 2.01 0.00 0.00 34.83 36.28 1ri8 s MET 34 CO 0.25 0.13 0.95 0.20 -0.01 0.00 0.00 175.02 176.53 1ri8 s GLY 35 N -0.58 -0.08 -0.05 -0.03 0.00 -0.43 -0.63 107.32 105.53 1ri8 s GLY 35 Ca -0.00 -0.11 0.07 0.00 0.00 0.00 0.00 44.72 44.68 1ri8 s GLY 35 CO 0.00 0.57 -0.25 -0.98 0.00 0.00 0.00 173.10 172.44 1ri8 s TRP 36 N -2.96 2.41 0.02 1.90 0.51 0.16 -0.89 118.94 120.09 1ri8 s TRP 36 Ca 0.15 -0.62 0.05 0.00 -2.12 0.00 0.00 56.10 53.56 1ri8 s TRP 36 Cb -0.02 -1.57 -0.02 0.00 -0.81 0.00 0.00 33.47 31.05 1ri8 s TRP 36 CO 0.04 -0.15 -0.16 -0.06 -0.51 0.00 0.00 176.95 176.11 1ri8 s PHE 37 N -0.31 1.43 0.08 -1.98 0.40 0.53 -1.36 117.98 116.76 1ri8 s PHE 37 Ca 0.01 -0.31 0.06 0.00 -0.60 0.00 0.00 56.93 56.09 1ri8 s PHE 37 Cb -0.13 -0.88 -0.03 0.00 0.51 0.00 0.00 43.02 42.49 1ri8 s PHE 37 CO 0.02 0.02 -0.17 -0.98 0.70 0.00 0.00 175.22 174.81 1ri8 s ARG 38 N -0.77 0.95 -0.27 0.44 1.70 -0.25 0.70 118.95 121.44 1ri8 s ARG 38 Ca 0.05 -1.02 0.02 0.00 -0.47 0.00 0.00 55.73 54.32 1ri8 s ARG 38 Cb -0.07 -1.05 0.07 0.00 -0.57 0.00 0.00 34.95 33.33 1ri8 s ARG 38 CO 0.00 0.24 -0.05 0.50 -1.08 0.00 0.00 175.30 174.92 1ri8 s ARG 39 N -1.75 1.82 0.48 3.89 3.52 -0.52 -0.60 118.95 125.78 1ri8 s ARG 39 Ca 0.01 -1.35 -0.17 0.00 -0.13 0.00 0.00 55.73 54.10 1ri8 s ARG 39 Cb -0.10 -2.83 -0.08 0.00 -1.56 0.00 0.00 34.95 30.38 1ri8 s ARG 39 CO 0.03 -0.68 0.95 0.00 -0.81 0.00 0.00 175.30 174.78 1ri8 s ALA 40 N 1.17 3.10 -0.02 6.12 0.00 -1.26 -2.26 121.76 128.61 1ri8 s ALA 40 Ca -0.03 0.18 -0.37 0.00 0.00 0.00 0.00 51.96 51.74 1ri8 s ALA 40 Cb -0.19 -3.07 -0.16 0.00 0.00 0.00 0.00 23.12 19.70 1ri8 s ALA 40 CO -0.07 -0.11 1.53 -0.35 0.00 0.00 0.00 175.76 176.75 1ri8 n PRO 41 N -1.31 1.38 -0.94 0.00 -0.04 -1.26 -0.75 135.00 132.07 1ri8 n PRO 41 Ca 0.06 0.50 0.00 0.00 -0.04 0.00 0.00 63.50 64.02 1ri8 n PRO 41 Cb 0.54 -2.19 0.00 0.00 -0.04 0.00 0.00 33.50 31.81 1ri8 n PRO 41 CO 0.00 0.00 0.00 0.41 -0.04 0.00 0.00 175.50 175.87 1ri8 n GLY 42 N 3.25 0.45 3.71 0.55 0.00 -1.26 -5.00 105.19 106.89 1ri8 n GLY 42 Ca 0.21 0.00 -0.28 0.00 0.00 0.00 0.00 46.02 45.95 1ri8 n GLY 42 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ri8 s LYS 43 N -0.55 2.12 0.36 1.61 1.02 0.07 -5.14 119.74 119.23 1ri8 s LYS 43 Ca 0.00 -2.07 -0.01 0.00 0.02 0.00 0.00 55.97 53.91 1ri8 s LYS 43 Cb 0.00 -1.77 -0.03 0.00 -0.52 0.00 0.00 37.83 35.50 1ri8 s LYS 43 CO 0.00 -0.18 0.58 -1.83 -0.92 0.00 0.00 175.35 173.00 1ri8 s GLU 44 N -3.86 3.50 0.28 1.68 4.04 -1.26 -4.54 118.70 118.55 1ri8 s GLU 44 Ca 0.31 -0.23 -0.30 0.00 0.04 0.00 0.00 54.97 54.79 1ri8 s GLU 44 Cb 0.05 -2.62 -0.11 0.00 0.02 0.00 0.00 34.13 31.47 1ri8 s GLU 44 CO 0.17 0.10 1.55 1.03 -1.84 0.00 0.00 175.26 176.27 1ri8 s ARG 45 N -4.32 4.16 -0.09 -4.83 0.52 -1.26 -4.57 118.95 108.56 1ri8 s ARG 45 Ca 0.41 2.51 0.04 0.00 -0.52 0.00 0.00 55.73 58.17 1ri8 s ARG 45 Cb -0.10 -3.04 -0.00 0.00 0.52 0.00 0.00 34.95 32.33 1ri8 s ARG 45 CO 0.37 -0.58 -0.22 -2.00 0.02 0.00 0.00 175.30 172.89 1ri8 s GLU 46 N -0.49 2.75 -0.05 3.54 2.12 0.23 -4.90 118.70 121.90 1ri8 s GLU 46 Ca 0.62 -0.82 -0.30 0.00 0.36 0.00 0.00 54.97 54.84 1ri8 s GLU 46 Cb -0.46 -2.14 -0.03 0.00 0.26 0.00 0.00 34.13 31.76 1ri8 s GLU 46 CO 0.47 0.20 1.09 0.20 -0.54 0.00 0.00 175.26 176.68 1ri8 s GLY 47 N 0.28 2.39 -0.07 -1.50 0.00 -1.26 -1.09 107.32 106.07 1ri8 s GLY 47 Ca -0.15 0.55 0.09 0.00 0.00 0.00 0.00 44.72 45.21 1ri8 s GLY 47 CO 0.07 1.99 0.09 3.33 0.00 0.00 0.00 173.10 178.58 1ri8 n VAL 48 N 4.37 0.46 -3.64 1.40 0.24 -0.47 -4.36 118.33 116.34 1ri8 n VAL 48 Ca 0.09 -0.36 -0.07 0.00 -2.04 0.00 0.00 64.34 61.96 1ri8 n VAL 48 Cb 0.48 -0.44 -0.07 0.00 -1.47 0.00 0.00 33.84 32.34 1ri8 n VAL 48 CO 0.00 0.00 0.00 0.00 -2.14 0.00 0.00 176.83 174.69 1ri8 s ALA 49 N -2.38 -1.90 0.09 2.33 0.00 -1.20 -1.37 121.76 117.33 1ri8 s ALA 49 Ca -0.04 2.36 0.02 0.00 0.00 0.00 0.00 51.96 54.29 1ri8 s ALA 49 Cb 0.04 -1.43 -0.04 0.00 0.00 0.00 0.00 23.12 21.69 1ri8 s ALA 49 CO 0.41 -0.37 -0.07 0.14 0.00 0.00 0.00 175.76 175.87 1ri8 s VAL 50 N 1.47 0.64 -0.10 0.00 -7.23 -0.54 -0.67 120.40 113.96 1ri8 s VAL 50 Ca -0.09 -1.79 -0.08 0.00 -1.81 0.00 0.00 61.98 58.21 1ri8 s VAL 50 Cb -0.05 -1.50 0.03 0.00 0.56 0.00 0.00 36.38 35.42 1ri8 s VAL 50 CO -0.17 -0.80 0.27 -0.51 -0.31 0.00 0.00 175.10 173.57 1ri8 s ILE 51 N -3.27 -0.01 0.69 -0.62 2.07 0.20 -2.00 121.20 118.26 1ri8 s ILE 51 Ca 0.08 0.04 0.04 0.00 -1.41 0.00 0.00 60.65 59.40 1ri8 s ILE 51 Cb 0.03 -0.39 0.13 0.00 0.13 0.00 0.00 42.46 42.36 1ri8 s ILE 51 CO -0.04 0.02 0.95 1.51 -1.91 0.00 0.00 174.94 175.46 1ri8 s ASP 52 N 0.50 4.51 0.05 4.50 1.47 -0.63 -2.64 116.67 124.42 1ri8 s ASP 52 Ca -0.03 -0.68 0.12 0.00 1.18 0.00 0.00 52.55 53.15 1ri8 s ASP 52 Cb -0.04 0.33 0.54 0.00 -0.34 0.00 0.00 42.92 43.41 1ri8 s ASP 52 CO -0.03 -1.77 1.39 -1.54 0.68 0.00 0.00 175.17 173.90 1ri8 n SER 53 N -2.66 0.12 -0.73 2.11 3.41 -1.26 -1.49 113.62 113.12 1ri8 n SER 53 Ca 0.17 0.54 0.13 0.00 -0.26 0.00 0.00 58.87 59.44 1ri8 n SER 53 Cb 0.61 -0.56 0.26 0.00 -0.26 0.00 0.00 64.21 64.26 1ri8 n SER 53 CO 0.00 0.00 0.00 -1.20 -0.16 0.00 0.00 175.04 173.68 1ri8 n SER 54 N -1.64 2.32 0.00 4.04 7.64 -1.26 -4.93 113.62 119.80 1ri8 n SER 54 Ca 0.02 -1.75 0.00 0.00 1.01 0.00 0.00 58.87 58.16 1ri8 n SER 54 Cb 0.13 0.03 0.00 0.00 -1.01 0.00 0.00 64.21 63.36 1ri8 n SER 54 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1ri8 n GLY 55 N 1.29 0.79 3.81 0.23 0.00 -0.55 -5.04 105.19 105.72 1ri8 n GLY 55 Ca 0.15 0.00 -0.34 0.00 0.00 0.00 0.00 46.02 45.83 1ri8 n GLY 55 CO 0.00 0.00 0.00 0.50 0.00 0.00 0.00 173.32 173.82 1ri8 s ARG 56 N -0.24 4.17 0.22 1.61 0.52 -1.26 -4.82 118.95 119.15 1ri8 s ARG 56 Ca 0.00 1.23 0.06 0.00 -0.52 0.00 0.00 55.73 56.50 1ri8 s ARG 56 Cb 0.00 -2.27 -0.05 0.00 0.52 0.00 0.00 34.95 33.15 1ri8 s ARG 56 CO 0.00 -0.09 -0.07 0.95 0.02 0.00 0.00 175.30 176.10 1ri8 s THR 57 N -2.02 1.43 -0.07 0.02 -4.23 -1.26 -1.61 115.64 107.90 1ri8 s THR 57 Ca 0.61 -2.11 -0.08 0.00 -1.18 0.00 0.00 61.69 58.93 1ri8 s THR 57 Cb -0.13 -2.21 0.02 0.00 1.34 0.00 0.00 72.50 71.52 1ri8 s THR 57 CO 0.17 -0.46 0.21 0.00 -0.54 0.00 0.00 174.62 174.00 1ri8 s ALA 58 N -3.16 -0.53 0.08 3.99 0.00 -0.84 -5.00 121.76 116.30 1ri8 s ALA 58 Ca 0.25 0.51 0.03 0.00 0.00 0.00 0.00 51.96 52.75 1ri8 s ALA 58 Cb 0.03 -0.28 -0.03 0.00 0.00 0.00 0.00 23.12 22.84 1ri8 s ALA 58 CO 0.08 -0.12 -0.09 0.71 0.00 0.00 0.00 175.76 176.33 1ri8 s TYR 59 N -0.14 0.94 0.43 0.00 1.51 -1.26 -1.47 117.35 117.35 1ri8 s TYR 59 Ca -0.03 -0.67 -0.23 0.00 -1.01 0.00 0.00 57.07 55.13 1ri8 s TYR 59 Cb -0.02 -0.53 -0.08 0.00 -0.11 0.00 0.00 41.96 41.21 1ri8 s TYR 59 CO 0.01 -0.05 1.10 0.00 -1.11 0.00 0.00 175.55 175.50 1ri8 s ALA 60 N -2.41 3.04 0.37 3.71 0.00 -0.47 -4.88 121.76 121.12 1ri8 s ALA 60 Ca 0.03 0.80 0.07 0.00 0.00 0.00 0.00 51.96 52.86 1ri8 s ALA 60 Cb -0.03 -3.32 0.78 0.00 0.00 0.00 0.00 23.12 20.55 1ri8 s ALA 60 CO -0.01 -0.40 1.95 -0.44 0.00 0.00 0.00 175.76 176.86 1ri8 h ASP 61 N 2.29 0.63 0.07 0.00 3.32 -1.94 -2.13 116.42 118.68 1ri8 h ASP 61 Ca -0.49 0.01 0.00 0.00 0.02 0.00 0.00 57.03 56.57 1ri8 h ASP 61 Cb 1.23 -0.13 0.00 0.00 0.22 0.00 0.00 39.33 40.65 1ri8 h ASP 61 CO 0.61 0.40 0.00 0.77 -1.72 0.00 0.00 179.24 179.30 1ri8 h SER 62 N 0.71 0.00 0.00 6.45 4.64 -1.97 -3.10 113.55 120.29 1ri8 h SER 62 Ca 0.32 0.00 0.00 0.00 -0.47 0.00 0.00 61.79 61.64 1ri8 h SER 62 Cb 0.33 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.42 1ri8 h SER 62 CO -0.11 0.00 0.00 1.33 -0.87 0.00 0.00 176.83 177.18 1ri8 n VAL 63 N -2.69 0.00 -1.62 0.95 0.24 -0.84 -5.00 118.33 109.37 1ri8 n VAL 63 Ca -0.02 -0.40 -0.47 0.00 -2.04 0.00 0.00 64.34 61.41 1ri8 n VAL 63 Cb 0.07 1.06 -0.04 0.00 -1.47 0.00 0.00 33.84 33.46 1ri8 n VAL 63 CO 0.00 0.00 0.00 0.29 -2.14 0.00 0.00 176.83 174.98 1ri8 n LYS 64 N -0.57 1.55 0.00 7.34 5.02 -0.97 -1.10 118.16 129.44 1ri8 n LYS 64 Ca 0.00 0.55 0.00 0.00 -2.02 0.00 0.00 58.31 56.84 1ri8 n LYS 64 Cb 0.01 -2.14 0.00 0.00 -0.02 0.00 0.00 35.03 32.89 1ri8 n LYS 64 CO 0.00 0.00 0.00 0.41 -0.52 0.00 0.00 177.40 177.29 1ri8 n GLY 65 N 2.18 2.50 0.12 0.72 0.00 -1.26 -4.73 105.19 104.72 1ri8 n GLY 65 Ca 0.14 -0.19 -0.17 0.00 0.00 0.00 0.00 46.02 45.80 1ri8 n GLY 65 CO 0.00 0.00 0.00 0.54 0.00 0.00 0.00 173.32 173.86 1ri8 n ARG 66 N 0.00 0.71 -4.11 1.61 1.74 -0.26 -4.90 116.66 111.45 1ri8 n ARG 66 Ca 0.00 0.22 -0.35 0.00 -0.77 0.00 0.00 57.85 56.95 1ri8 n ARG 66 Cb 0.00 -1.67 -0.09 0.00 -1.02 0.00 0.00 32.46 29.68 1ri8 n ARG 66 CO 0.00 0.00 0.00 -0.06 -1.52 0.00 0.00 177.63 176.05 1ri8 s PHE 67 N -2.55 3.32 -0.11 -1.55 0.40 -0.52 -0.96 117.98 116.00 1ri8 s PHE 67 Ca -0.21 0.25 -0.00 0.00 -0.60 0.00 0.00 56.93 56.37 1ri8 s PHE 67 Cb 0.07 -1.93 0.02 0.00 0.51 0.00 0.00 43.02 41.70 1ri8 s PHE 67 CO 0.75 0.44 -0.09 0.99 0.70 0.00 0.00 175.22 178.01 1ri8 s THR 68 N -0.50 1.11 -0.12 0.64 2.01 -0.22 -4.81 115.64 113.75 1ri8 s THR 68 Ca 0.10 -0.35 -0.06 0.00 0.31 0.00 0.00 61.69 61.69 1ri8 s THR 68 Cb -0.12 -1.11 -0.04 0.00 0.01 0.00 0.00 72.50 71.24 1ri8 s THR 68 CO 0.02 0.38 0.10 -0.51 -0.69 0.00 0.00 174.62 173.93 1ri8 s ILE 69 N 1.59 5.20 0.17 1.82 2.07 -1.26 -0.69 121.20 130.11 1ri8 s ILE 69 Ca 0.03 0.10 0.02 0.00 -1.41 0.00 0.00 60.65 59.39 1ri8 s ILE 69 Cb -0.13 -3.26 -0.05 0.00 0.13 0.00 0.00 42.46 39.16 1ri8 s ILE 69 CO -0.08 0.60 -0.01 -0.94 -1.91 0.00 0.00 174.94 172.60 1ri8 s SER 70 N -0.88 1.31 -0.16 4.50 1.04 -0.44 -4.98 113.70 114.09 1ri8 s SER 70 Ca 0.14 -1.15 -0.09 0.00 0.48 0.00 0.00 55.95 55.33 1ri8 s SER 70 Cb -0.12 0.10 0.06 0.00 0.10 0.00 0.00 66.02 66.16 1ri8 s SER 70 CO 0.03 -0.53 0.39 -0.60 0.98 0.00 0.00 173.24 173.51 1ri8 s ARG 71 N -3.89 0.36 -0.79 4.02 3.52 -1.26 -1.21 118.95 119.71 1ri8 s ARG 71 Ca 0.23 0.77 -0.17 0.00 -0.13 0.00 0.00 55.73 56.43 1ri8 s ARG 71 Cb 0.06 -0.02 0.15 0.00 -1.56 0.00 0.00 34.95 33.58 1ri8 s ARG 71 CO 0.03 -0.17 0.88 -0.51 -0.81 0.00 0.00 175.30 174.72 1ri8 s ASP 72 N 1.48 6.52 0.20 -2.12 1.01 0.09 -4.92 116.67 118.93 1ri8 s ASP 72 Ca -0.09 -2.04 -0.10 0.00 0.71 0.00 0.00 52.55 51.03 1ri8 s ASP 72 Cb -0.09 -2.31 0.25 0.00 1.01 0.00 0.00 42.92 41.78 1ri8 s ASP 72 CO -0.12 -0.93 1.76 0.58 0.21 0.00 0.00 175.17 176.66 1ri8 h VAL 73 N 5.54 0.83 0.00 -1.27 2.07 -1.93 -0.79 116.25 120.70 1ri8 h VAL 73 Ca -0.01 -0.16 -0.00 0.00 0.82 0.00 0.00 66.70 67.35 1ri8 h VAL 73 Cb 1.05 0.33 -0.00 0.00 -1.52 0.00 0.00 31.29 31.15 1ri8 h VAL 73 CO 1.00 0.08 -0.02 0.00 0.02 0.00 0.00 177.57 178.65 1ri8 h ALA 74 N 1.38 1.03 -0.18 1.67 0.00 -1.95 -2.48 119.26 118.72 1ri8 h ALA 74 Ca 0.29 -0.02 0.00 0.00 0.00 0.00 0.00 54.91 55.18 1ri8 h ALA 74 Cb 0.31 -0.00 0.00 0.00 0.00 0.00 0.00 17.79 18.10 1ri8 h ALA 74 CO -0.26 0.03 0.00 1.28 0.00 0.00 0.00 179.25 180.29 1ri8 n LEU 75 N -3.15 3.14 -3.97 0.00 4.77 -0.38 -4.97 117.00 112.45 1ri8 n LEU 75 Ca -0.01 -1.19 -0.29 0.00 -0.03 0.00 0.00 56.01 54.50 1ri8 n LEU 75 Cb 0.24 -0.11 0.00 0.00 -2.33 0.00 0.00 43.42 41.22 1ri8 n LEU 75 CO 0.26 0.59 -0.05 0.47 -1.33 0.00 0.00 177.39 177.33 1ri8 n ASP 76 N 1.37 -2.61 -4.00 -1.43 8.00 -0.76 -4.76 116.55 112.35 1ri8 n ASP 76 Ca 0.16 -0.91 -0.15 0.00 0.71 0.00 0.00 54.79 54.60 1ri8 n ASP 76 Cb 0.59 -3.41 -0.14 0.00 -0.02 0.00 0.00 41.12 38.15 1ri8 n ASP 76 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ri8 s THR 77 N -3.54 0.50 0.16 -3.53 2.01 -1.14 -0.48 115.64 109.62 1ri8 s THR 77 Ca 0.40 -0.50 0.06 0.00 0.31 0.00 0.00 61.69 61.96 1ri8 s THR 77 Cb -0.21 -0.46 -0.04 0.00 0.01 0.00 0.00 72.50 71.80 1ri8 s THR 77 CO 0.87 -0.02 -0.13 0.00 -0.69 0.00 0.00 174.62 174.65 1ri8 s ALA 78 N -0.50 1.66 0.03 7.40 0.00 0.10 -0.74 121.76 129.72 1ri8 s ALA 78 Ca -0.01 -1.49 0.03 0.00 0.00 0.00 0.00 51.96 50.48 1ri8 s ALA 78 Cb -0.05 -0.03 -0.02 0.00 0.00 0.00 0.00 23.12 23.02 1ri8 s ALA 78 CO 0.00 0.01 -0.09 0.71 0.00 0.00 0.00 175.76 176.40 1ri8 s TYR 79 N -2.88 0.74 -0.25 0.00 1.51 -0.35 -0.70 117.35 115.43 1ri8 s TYR 79 Ca 0.16 -0.36 0.02 0.00 -1.01 0.00 0.00 57.07 55.88 1ri8 s TYR 79 Cb -0.01 -0.45 0.06 0.00 -0.11 0.00 0.00 41.96 41.46 1ri8 s TYR 79 CO 0.03 -0.04 -0.07 -1.17 -1.11 0.00 0.00 175.55 173.19 1ri8 s LEU 80 N -1.12 3.03 -0.43 -1.29 2.96 -0.09 -1.33 118.68 120.41 1ri8 s LEU 80 Ca -0.04 -1.31 -0.18 0.00 -0.22 0.00 0.00 54.13 52.37 1ri8 s LEU 80 Cb -0.07 -1.35 0.03 0.00 0.50 0.00 0.00 46.19 45.29 1ri8 s LEU 80 CO 0.00 -0.22 0.47 -1.58 -1.32 0.00 0.00 176.35 173.71 1ri8 s GLN 81 N 1.25 3.11 -0.43 1.98 2.00 0.13 -1.11 119.66 126.60 1ri8 s GLN 81 Ca -0.06 -0.75 -0.13 0.00 -2.00 0.00 0.00 55.36 52.42 1ri8 s GLN 81 Cb -0.19 -3.98 0.05 0.00 0.80 0.00 0.00 33.01 29.69 1ri8 s GLN 81 CO -0.06 -0.91 0.30 -1.64 -0.50 0.00 0.00 175.29 172.49 1ri8 s MET 82 N 2.24 2.86 0.17 1.67 -1.94 0.06 -1.06 119.30 123.31 1ri8 s MET 82 Ca 0.13 -1.24 0.05 0.00 -1.71 0.00 0.00 55.69 52.93 1ri8 s MET 82 Cb -0.17 -3.93 -0.04 0.00 2.01 0.00 0.00 34.83 32.70 1ri8 s MET 82 CO 0.14 -0.88 0.13 -0.80 -0.01 0.00 0.00 175.02 173.60 1ri8 s ASN 83 N 2.06 5.43 -1.25 3.03 0.01 -0.13 -1.54 114.94 122.54 1ri8 s ASN 83 Ca 0.03 -0.17 -0.11 0.00 -0.71 0.00 0.00 52.86 51.90 1ri8 s ASN 83 Cb -0.22 -1.39 -0.00 0.00 0.41 0.00 0.00 41.25 40.05 1ri8 s ASN 83 CO 0.06 0.06 0.65 -0.24 -1.51 0.00 0.00 177.10 176.13 1ri8 n SER 84 N -0.40 -3.04 -4.74 -1.22 2.88 -0.89 -4.64 113.62 101.56 1ri8 n SER 84 Ca -0.08 -0.99 -0.36 0.00 -1.33 0.00 0.00 58.87 56.11 1ri8 n SER 84 Cb 0.55 -3.36 0.05 0.00 -0.75 0.00 0.00 64.21 60.70 1ri8 n SER 84 CO 0.00 0.00 0.00 -0.76 -1.23 0.00 0.00 175.04 173.05 1ri8 s LEU 85 N -6.67 3.56 0.19 2.46 1.43 -0.13 -4.62 118.68 114.91 1ri8 s LEU 85 Ca 0.25 2.40 0.08 0.00 -1.03 0.00 0.00 54.13 55.82 1ri8 s LEU 85 Cb -0.09 -4.60 -0.04 0.00 0.03 0.00 0.00 46.19 41.49 1ri8 s LEU 85 CO 0.86 -1.80 -0.15 -0.54 0.23 0.00 0.00 176.35 174.96 1ri8 s LYS 86 N -3.50 1.28 0.33 1.70 1.02 -1.26 0.41 119.74 119.71 1ri8 s LYS 86 Ca 0.77 -1.52 0.06 0.00 0.02 0.00 0.00 55.97 55.30 1ri8 s LYS 86 Cb -0.31 -1.11 0.71 0.00 -0.52 0.00 0.00 37.83 36.60 1ri8 s LYS 86 CO 0.37 0.19 1.87 -1.35 -0.92 0.00 0.00 175.35 175.51 1ri8 h PRO 87 N 2.78 0.79 0.00 -1.68 0.11 -1.90 0.41 132.00 132.51 1ri8 h PRO 87 Ca -0.39 -0.05 0.00 0.00 0.11 0.00 0.00 66.00 65.67 1ri8 h PRO 87 Cb 1.21 -0.18 0.00 0.00 0.11 0.00 0.00 31.00 32.15 1ri8 h PRO 87 CO 0.59 0.52 0.00 0.39 -0.21 0.00 0.00 178.00 179.30 1ri8 n GLU 88 N -4.57 0.04 0.00 1.05 4.71 -1.26 -1.25 120.64 119.37 1ri8 n GLU 88 Ca 0.17 0.31 0.13 0.00 -0.01 0.00 0.00 57.16 57.77 1ri8 n GLU 88 Cb 0.40 -1.50 0.42 0.00 -1.01 0.00 0.00 31.44 29.76 1ri8 n GLU 88 CO 0.00 0.00 0.00 -0.25 0.09 0.00 0.00 177.13 176.97 1ri8 n ASP 89 N -1.39 0.72 -4.72 1.62 8.00 0.13 -4.89 116.55 116.03 1ri8 n ASP 89 Ca 0.02 -0.60 -0.42 0.00 0.71 0.00 0.00 54.79 54.50 1ri8 n ASP 89 Cb 0.06 0.07 -0.03 0.00 -0.02 0.00 0.00 41.12 41.20 1ri8 n ASP 89 CO 0.00 0.00 0.00 -0.89 -0.39 0.00 0.00 177.20 175.92 1ri8 s THR 90 N -2.63 2.26 0.00 -3.53 2.01 -0.38 -4.89 115.64 108.48 1ri8 s THR 90 Ca 0.22 0.15 0.00 0.00 0.31 0.00 0.00 61.69 62.37 1ri8 s THR 90 Cb 0.19 -3.10 0.00 0.00 0.01 0.00 0.00 72.50 69.60 1ri8 s THR 90 CO 0.55 0.01 0.00 0.00 -0.69 0.00 0.00 174.62 174.49 1ri8 n ALA 91 N 4.17 0.00 -2.67 7.40 0.00 -0.40 -4.56 120.51 124.45 1ri8 n ALA 91 Ca 0.15 0.00 -0.39 0.00 0.00 0.00 0.00 53.44 53.20 1ri8 n ALA 91 Cb 0.36 0.00 -0.06 0.00 0.00 0.00 0.00 19.45 19.75 1ri8 n ALA 91 CO 0.00 0.00 0.00 1.41 0.00 0.00 0.00 177.50 178.91 1ri8 s MET 92 N -2.00 4.22 -0.18 0.00 -2.45 -0.96 -1.19 119.30 116.75 1ri8 s MET 92 Ca 0.00 0.50 -0.08 0.00 -1.25 0.00 0.00 55.69 54.86 1ri8 s MET 92 Cb 0.00 -3.55 -0.04 0.00 1.25 0.00 0.00 34.83 32.49 1ri8 s MET 92 CO 0.00 -0.14 0.10 0.71 1.05 0.00 0.00 175.02 176.74 1ri8 s TYR 93 N 1.58 3.36 -0.11 4.11 1.51 0.21 -1.44 117.35 126.57 1ri8 s TYR 93 Ca 0.26 0.24 0.03 0.00 -1.01 0.00 0.00 57.07 56.60 1ri8 s TYR 93 Cb -0.16 -2.08 0.01 0.00 -0.11 0.00 0.00 41.96 39.62 1ri8 s TYR 93 CO 0.10 0.31 -0.21 0.71 -1.11 0.00 0.00 175.55 175.35 1ri8 s TYR 94 N 0.11 2.41 0.27 2.71 1.51 0.22 0.41 117.35 124.98 1ri8 s TYR 94 Ca 0.07 -1.07 -0.19 0.00 -1.01 0.00 0.00 57.07 54.87 1ri8 s TYR 94 Cb -0.12 -1.64 -0.09 0.00 -0.11 0.00 0.00 41.96 40.00 1ri8 s TYR 94 CO -0.00 -0.47 0.75 0.00 -1.11 0.00 0.00 175.55 174.72 1ri8 s ALA 96 N -1.70 -0.64 0.10 0.00 0.00 -0.06 -3.72 121.76 115.74 1ri8 s ALA 96 Ca 0.48 0.12 0.10 0.00 0.00 0.00 0.00 51.96 52.66 1ri8 s ALA 96 Cb -0.15 0.15 -0.04 0.00 0.00 0.00 0.00 23.12 23.09 1ri8 s ALA 96 CO 0.20 -0.29 -0.26 0.00 0.00 0.00 0.00 175.76 175.41 1ri8 s ALA 97 N -1.71 2.22 0.38 0.00 0.00 -0.26 -1.31 121.76 121.08 1ri8 s ALA 97 Ca -0.11 -1.37 -0.12 0.00 0.00 0.00 0.00 51.96 50.36 1ri8 s ALA 97 Cb -0.04 -0.38 0.05 0.00 0.00 0.00 0.00 23.12 22.75 1ri8 s ALA 97 CO 0.01 0.50 0.72 0.41 0.00 0.00 0.00 175.76 177.41 1ri8 n GLY 98 N 1.17 1.19 3.73 0.00 0.00 -0.27 -1.70 105.19 109.31 1ri8 n GLY 98 Ca -0.18 -1.31 -0.41 0.00 0.00 0.00 0.00 46.02 44.12 1ri8 n GLY 98 CO 0.00 0.00 0.00 -0.98 0.00 0.00 0.00 173.32 172.34 1ri8 s TRP 99 N -2.45 3.30 0.39 1.61 0.51 -1.08 -0.14 118.94 121.07 1ri8 s TRP 99 Ca 0.18 1.23 0.01 0.00 -2.12 0.00 0.00 56.10 55.40 1ri8 s TRP 99 Cb -0.04 -3.57 -0.02 0.00 -0.81 0.00 0.00 33.47 29.03 1ri8 s TRP 99 CO 0.13 -1.78 0.59 -1.54 -0.51 0.00 0.00 176.95 173.85 1ri8 s SER 100 N 0.43 6.06 -0.30 2.95 1.04 -1.26 -4.65 113.70 117.96 1ri8 s SER 100 Ca 0.57 0.31 0.00 0.00 0.48 0.00 0.00 55.95 57.31 1ri8 s SER 100 Cb -0.35 -1.73 0.09 0.00 0.10 0.00 0.00 66.02 64.13 1ri8 s SER 100 CO 0.36 -0.48 0.07 -0.55 0.98 0.00 0.00 173.24 173.62 1ri8 s SER 101 N -4.13 4.09 -1.45 7.02 0.15 -0.76 -4.76 113.70 113.86 1ri8 s SER 101 Ca 0.44 -1.65 -0.01 0.00 0.70 0.00 0.00 55.95 55.42 1ri8 s SER 101 Cb -0.10 -1.01 0.01 0.00 -1.71 0.00 0.00 66.02 63.21 1ri8 s SER 101 CO 0.36 -0.39 0.38 0.18 1.20 0.00 0.00 173.24 174.97 1ri8 n LEU 102 N 4.74 -1.98 0.00 3.45 4.77 -1.26 -1.00 117.00 125.71 1ri8 n LEU 102 Ca -0.02 -1.05 0.00 0.00 -0.03 0.00 0.00 56.01 54.91 1ri8 n LEU 102 Cb 0.42 -2.11 0.00 0.00 -2.33 0.00 0.00 43.42 39.40 1ri8 n LEU 102 CO 0.14 0.43 0.00 0.61 -1.33 0.00 0.00 177.39 177.24 1ri8 n GLY 103 N -2.04 0.78 3.77 -0.72 0.00 -1.26 -5.02 105.19 100.70 1ri8 n GLY 103 Ca -0.29 0.00 -0.32 0.00 0.00 0.00 0.00 46.02 45.41 1ri8 n GLY 103 CO 0.00 0.00 0.00 -0.45 0.00 0.00 0.00 173.32 172.87 1ri8 s SER 104 N -2.66 5.61 0.07 1.61 0.15 -0.17 -4.63 113.70 113.67 1ri8 s SER 104 Ca 0.00 0.11 0.06 0.00 0.70 0.00 0.00 55.95 56.81 1ri8 s SER 104 Cb 0.00 -1.58 -0.03 0.00 -1.71 0.00 0.00 66.02 62.70 1ri8 s SER 104 CO 0.00 0.26 -0.15 0.00 1.20 0.00 0.00 173.24 174.54 1ri8 n GLY 106 N 1.41 3.16 1.06 0.00 0.00 -1.26 -4.91 105.19 104.66 1ri8 n GLY 106 Ca -0.20 -2.01 0.07 0.00 0.00 0.00 0.00 46.02 43.87 1ri8 n GLY 106 CO 0.00 0.00 0.00 -1.30 0.00 0.00 0.00 173.32 172.02 1ri8 n THR 107 N -0.75 1.03 -2.70 2.61 -2.24 -1.26 -4.87 114.28 106.10 1ri8 n THR 107 Ca -0.00 -0.73 -0.43 0.00 -2.27 0.00 0.00 64.05 60.61 1ri8 n THR 107 Cb 0.57 0.10 -0.03 0.00 -2.10 0.00 0.00 70.33 68.87 1ri8 n THR 107 CO 0.00 0.00 0.00 0.21 -0.57 0.00 0.00 175.07 174.71 1ri8 s ASN 108 N -0.83 6.57 0.57 3.42 2.47 -1.26 -4.00 114.94 121.88 1ri8 s ASN 108 Ca 0.33 0.31 0.27 0.00 0.42 0.00 0.00 52.86 54.20 1ri8 s ASN 108 Cb 0.20 -2.50 1.51 0.00 -1.45 0.00 0.00 41.25 39.00 1ri8 s ASN 108 CO 0.18 -1.16 2.00 0.08 -3.72 0.00 0.00 177.10 174.49 1ri8 h ARG 109 N 9.15 0.00 0.00 0.43 0.11 -1.93 -1.01 114.38 121.12 1ri8 h ARG 109 Ca -0.23 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.85 1ri8 h ARG 109 Cb 1.07 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.15 1ri8 h ARG 109 CO 1.08 0.00 0.00 0.09 0.10 0.00 0.00 179.97 181.24 1ri8 n ASN 110 N -4.00 0.62 -1.26 0.08 3.02 -1.26 -1.92 115.26 110.55 1ri8 n ASN 110 Ca 0.06 0.67 0.07 0.00 -0.03 0.00 0.00 54.58 55.36 1ri8 n ASN 110 Cb 0.52 -0.80 0.27 0.00 -0.61 0.00 0.00 39.78 39.16 1ri8 n ASN 110 CO 0.00 0.00 0.00 0.54 -2.62 0.00 0.00 177.26 175.18 1ri8 n ARG 111 N -2.21 3.04 -4.48 3.52 1.74 -0.38 -4.78 116.66 113.10 1ri8 n ARG 111 Ca 0.02 -2.13 -0.33 0.00 -0.77 0.00 0.00 57.85 54.63 1ri8 n ARG 111 Cb 0.19 -1.73 -0.16 0.00 -1.02 0.00 0.00 32.46 29.74 1ri8 n ARG 111 CO 0.00 0.00 0.00 0.71 -1.52 0.00 0.00 177.63 176.82 1ri8 s TYR 112 N -1.76 2.71 -1.31 -1.55 1.51 -0.81 -2.64 117.35 113.49 1ri8 s TYR 112 Ca 0.38 -1.45 0.11 0.00 -1.01 0.00 0.00 57.07 55.10 1ri8 s TYR 112 Cb 0.25 -1.85 0.12 0.00 -0.11 0.00 0.00 41.96 40.37 1ri8 s TYR 112 CO 0.19 -0.68 0.92 0.27 -1.11 0.00 0.00 175.55 175.13 1ri8 n ASN 113 N 4.26 2.09 -3.89 2.29 6.94 -0.69 -4.92 115.26 121.34 1ri8 n ASN 113 Ca -0.20 -1.55 -0.27 0.00 -0.02 0.00 0.00 54.58 52.54 1ri8 n ASN 113 Cb 0.51 -0.04 -0.17 0.00 -2.36 0.00 0.00 39.78 37.72 1ri8 n ASN 113 CO 0.00 0.00 0.00 -0.31 -1.03 0.00 0.00 177.26 175.92 1ri8 s TYR 114 N -0.94 1.48 0.32 -2.53 1.51 -0.95 -5.02 117.35 111.23 1ri8 s TYR 114 Ca 0.15 -0.80 0.06 0.00 -1.01 0.00 0.00 57.07 55.47 1ri8 s TYR 114 Cb 0.10 -1.22 -0.06 0.00 -0.11 0.00 0.00 41.96 40.66 1ri8 s TYR 114 CO 0.14 -0.53 -0.01 -1.58 -1.11 0.00 0.00 175.55 172.46 1ri8 s TRP 115 N 1.71 2.10 0.00 2.71 0.52 -1.26 -1.10 118.94 123.61 1ri8 s TRP 115 Ca 0.04 -0.77 0.00 0.00 0.02 0.00 0.00 56.10 55.39 1ri8 s TRP 115 Cb -0.13 -1.32 0.00 0.00 -1.15 0.00 0.00 33.47 30.87 1ri8 s TRP 115 CO -0.08 0.24 0.00 0.41 0.02 0.00 0.00 176.95 177.54 1ri8 n GLY 116 N -0.71 6.61 0.18 0.98 0.00 -1.24 -4.81 105.19 106.20 1ri8 n GLY 116 Ca -0.04 -1.79 0.06 0.00 0.00 0.00 0.00 46.02 44.25 1ri8 n GLY 116 CO 0.00 0.00 0.00 1.46 0.00 0.00 0.00 173.32 174.78 1ri8 h GLN 117 N 0.00 0.00 -0.33 1.61 4.20 -1.93 -3.49 115.11 115.17 1ri8 h GLN 117 Ca 0.00 0.00 0.04 0.00 0.06 0.00 0.00 58.65 58.75 1ri8 h GLN 117 Cb 0.00 0.00 -0.01 0.00 0.30 0.00 0.00 27.48 27.77 1ri8 h GLN 117 CO 0.00 0.35 -0.08 0.41 -0.67 0.00 0.00 178.83 178.84 1ri8 n GLY 118 N 0.81 -1.75 3.00 3.46 0.00 -1.26 -5.00 105.19 104.45 1ri8 n GLY 118 Ca 0.01 -1.48 -0.12 0.00 0.00 0.00 0.00 46.02 44.44 1ri8 n GLY 118 CO 0.00 0.00 0.00 -1.08 0.00 0.00 0.00 173.32 172.24 1ri8 s THR 119 N -1.74 0.01 0.12 2.61 -1.32 0.16 -4.93 115.64 110.56 1ri8 s THR 119 Ca 0.00 -0.10 -0.27 0.00 -1.21 0.00 0.00 61.69 60.11 1ri8 s THR 119 Cb 0.00 -0.19 -0.07 0.00 -1.51 0.00 0.00 72.50 70.73 1ri8 s THR 119 CO 0.00 -0.06 0.83 -1.58 -2.21 0.00 0.00 174.62 171.61 1ri8 s GLN 120 N -0.14 4.60 -0.11 7.08 2.00 -1.26 0.65 119.66 132.49 1ri8 s GLN 120 Ca -0.02 1.23 0.01 0.00 -2.00 0.00 0.00 55.36 54.57 1ri8 s GLN 120 Cb -0.02 -3.33 0.02 0.00 0.80 0.00 0.00 33.01 30.49 1ri8 s GLN 120 CO 0.00 0.38 -0.11 0.08 -0.50 0.00 0.00 175.29 175.15 1ri8 s VAL 121 N -0.51 1.20 -0.11 1.34 1.01 -0.33 -0.47 120.40 122.53 1ri8 s VAL 121 Ca 0.40 -0.43 0.00 0.00 0.00 0.00 0.00 61.98 61.94 1ri8 s VAL 121 Cb -0.23 -1.16 0.02 0.00 0.00 0.00 0.00 36.38 35.02 1ri8 s VAL 121 CO 0.27 0.39 -0.09 -0.89 0.00 0.00 0.00 175.10 174.77 1ri8 s THR 122 N 1.34 1.11 -0.31 3.92 2.01 0.16 -1.28 115.64 122.61 1ri8 s THR 122 Ca -0.01 -0.36 -0.04 0.00 0.31 0.00 0.00 61.69 61.58 1ri8 s THR 122 Cb -0.14 -1.10 0.03 0.00 0.01 0.00 0.00 72.50 71.31 1ri8 s THR 122 CO -0.05 0.38 0.04 -0.69 -0.69 0.00 0.00 174.62 173.61 1ri8 s VAL 123 N 1.52 3.45 0.17 3.82 1.01 -1.26 -1.36 120.40 127.75 1ri8 s VAL 123 Ca 0.02 -1.10 -0.21 0.00 0.00 0.00 0.00 61.98 60.68 1ri8 s VAL 123 Cb -0.13 -2.90 -0.08 0.00 0.00 0.00 0.00 36.38 33.28 1ri8 s VAL 123 CO -0.07 -0.05 0.70 -0.44 0.00 0.00 0.00 175.10 175.25 1ri8 s SER 124 N 1.37 7.15 0.00 3.32 0.01 -0.55 -4.27 113.70 120.73 1ri8 s SER 124 Ca -0.02 1.45 0.12 0.00 1.31 0.00 0.00 55.95 58.81 1ri8 s SER 124 Cb -0.19 -2.43 0.74 0.00 0.21 0.00 0.00 66.02 64.36 1ri8 s SER 124 CO 0.01 0.14 1.17 -1.20 0.41 0.00 0.00 173.24 173.76